4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline

C14H14N4 — CID 83966917

IUPAC4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
SMILESCc1cccc2nc(Cc3ccc(N)cc3)nn12
InChIInChI=1S/C14H14N4/c1-10-3-2-4-14-16-13(17-18(10)14)9-11-5-7-12(15)8-6-11/h2-8H,9,15H2,1H3
InChIKeyLRPKQQVMCVOXSX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.21
Rot. Bonds2

About 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline

4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline (PubChem CID 83966917) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
PubChem CID83966917
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
SMILESCc1cccc2nc(Cc3ccc(N)cc3)nn12
InChIInChI=1S/C14H14N4/c1-10-3-2-4-14-16-13(17-18(10)14)9-11-5-7-12(15)8-6-11/h2-8H,9,15H2,1H3
InChIKeyLRPKQQVMCVOXSX-UHFFFAOYSA-N
XLogP2.21
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline 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 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline (CID 83966917) is 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline is Cc1cccc2nc(Cc3ccc(N)cc3)nn12.
What is the InChIKey of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The InChIKey is LRPKQQVMCVOXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-10-3-2-4-14-16-13(17-18(10)14)9-11-5-7-12(15)8-6-11/h2-8H,9,15H2,1H3.
What are the key properties of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline is sourced from PubChem (CID 83966917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).