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CAS 1432053-76-3 N-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxaMide molecular structure lightbox
CAS RN: 1432053-76-3

N-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxaMide

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN927055
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1432053-76-3 / N-(1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxamide

Standard CAS: 1432053-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1432053-76-3
Multi CAS
No
Molecular Formula
C6H6N6O
Molecular Weight
178.150000
Exact Mass
178.060309
SMILES
C1=C(C=NN1)C(=O)NN2C=NN=C2
InChI
InChI=1S/C6H6N6O/c13-6(5-1-7-8-2-5)11-12-3-9-10-4-12/h1-4H,(H,7,8)(H,11,13)
InChIKey
BZLKDDZCNLZRGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.3
TPSA
88.49

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.54
XLogP3
-1
Consensus LogP
-0.72
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very 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)
-4.24

Drug-likeness / Medicinal Chemistry

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

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