N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine

C14H16ClN7 — CID 167980602

IUPACN-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCCc1[nH]nc(Cl)c1CNc1cncc(-c2nncn2C)c1
InChIInChI=1S/C14H16ClN7/c1-3-12-11(13(15)20-19-12)7-17-10-4-9(5-16-6-10)14-21-18-8-22(14)2/h4-6,8,17H,3,7H2,1-2H3,(H,19,20)
InChIKeyGKTPTZVOKRYJLQ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.43
Rot. Bonds5

About N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine

N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 167980602) has the molecular formula C14H16ClN7 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID167980602
Molecular FormulaC14H16ClN7
Molecular Weight317.78 g/mol
Exact Mass317.12
IUPAC NameN-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCCc1[nH]nc(Cl)c1CNc1cncc(-c2nncn2C)c1
InChIInChI=1S/C14H16ClN7/c1-3-12-11(13(15)20-19-12)7-17-10-4-9(5-16-6-10)14-21-18-8-22(14)2/h4-6,8,17H,3,7H2,1-2H3,(H,19,20)
InChIKeyGKTPTZVOKRYJLQ-UHFFFAOYSA-N
XLogP2.43
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 167980602) is N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is CCc1[nH]nc(Cl)c1CNc1cncc(-c2nncn2C)c1.
What is the InChIKey of N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is GKTPTZVOKRYJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7/c1-3-12-11(13(15)20-19-12)7-17-10-4-9(5-16-6-10)14-21-18-8-22(14)2/h4-6,8,17H,3,7H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 317.78 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 167980602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).