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CAS 10421-98-4 N,N’-DIETHYL-6-HYDRAZINO-[1,3,5]TRIAZINE-2,4-DIAMINE molecular structure lightbox
CAS RN: 10421-98-4

N,N’-DIETHYL-6-HYDRAZINO-[1,3,5]TRIAZINE-2,4-DIAMINE

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Batchno.20260324 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10421-98-4
  • Purity/Analytical Methods: >99.0%
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10421-98-4 / 2-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine

DTXSID40274788 | N~2~,N~4~-Diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine | RefChem:366127

Standard CAS: 10421-98-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10421-98-4
Multi CAS
Yes
Molecular Formula
C7H15N7
Molecular Weight
197.240000
Exact Mass
197.138894
SMILES
CCNC1=NC(=NC(=N1)NN)NCC
InChI
InChI=1S/C7H15N7/c1-3-9-5-11-6(10-4-2)13-7(12-5)14-8/h3-4,8H2,1-2H3,(H3,9,10,11,12,13,14)
InChIKey
BVGUQIRYCWKXNV-UHFFFAOYSA-N
Synonyms
DTXSID40274788 N~2~,N~4~-Diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine RefChem:366127 DTXCID80226246 N,N'-Diethyl-6-hydrazino-[1,3,5]triazine-2,4-diamine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
55.96
TPSA
100.78

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
0.8
Consensus LogP
0.28
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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