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CAS 18107-03-4 PYRAZINE-2-CARBOXIMIDOHYDRAZIDE molecular structure lightbox
CAS RN: 18107-03-4

PYRAZINE-2-CARBOXIMIDOHYDRAZIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18107-03-4
  • Purity/Analytical Methods: >99.0%
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18107-03-4 / N'-aminopyrazine-2-carboximidamide

Standard CAS: 18107-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18107-03-4
Multi CAS
No
Molecular Formula
C5H7N5
Molecular Weight
137.140000
Exact Mass
137.070145
SMILES
C1=CN=C(C=N1)C(=NN)N
InChI
InChI=1S/C5H7N5/c6-5(10-7)4-3-8-1-2-9-4/h1-3H,7H2,(H2,6,10)
InChIKey
JNVGYAKLZAAYHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.94
TPSA
90.18

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.84
XLogP3
-0.7
Consensus LogP
-0.83
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.11
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.23

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

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