N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

C15H14ClN5 — CID 75435608

IUPACN-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cnnc1-c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN5/c1-21-10-19-20-15(21)12-6-7-17-14(8-12)18-9-11-2-4-13(16)5-3-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyRFYWUMZNMXAJSM-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 75435608) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID75435608
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCn1cnnc1-c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClN5/c1-21-10-19-20-15(21)12-6-7-17-14(8-12)18-9-11-2-4-13(16)5-3-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyRFYWUMZNMXAJSM-UHFFFAOYSA-N
XLogP3.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-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-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 75435608) is N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is Cn1cnnc1-c1ccnc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is RFYWUMZNMXAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-21-10-19-20-15(21)12-6-7-17-14(8-12)18-9-11-2-4-13(16)5-3-11/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 75435608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).