[6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

C18H20ClN5O — CID 143550755

IUPAC[6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCc1ccc(-c2cn3c(N4CCOCC4)nnc3cc2CN)c(Cl)c1
InChIInChI=1S/C18H20ClN5O/c1-12-2-3-14(16(19)8-12)15-11-24-17(9-13(15)10-20)21-22-18(24)23-4-6-25-7-5-23/h2-3,8-9,11H,4-7,10,20H2,1H3
InChIKeyKMZWWVKYLAHEOJ-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.65
Rot. Bonds3

About [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine

[6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (PubChem CID 143550755) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
PubChem CID143550755
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name[6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
SMILESCc1ccc(-c2cn3c(N4CCOCC4)nnc3cc2CN)c(Cl)c1
InChIInChI=1S/C18H20ClN5O/c1-12-2-3-14(16(19)8-12)15-11-24-17(9-13(15)10-20)21-22-18(24)23-4-6-25-7-5-23/h2-3,8-9,11H,4-7,10,20H2,1H3
InChIKeyKMZWWVKYLAHEOJ-UHFFFAOYSA-N
XLogP2.65
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine 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 [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The IUPAC name of [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine (CID 143550755) is [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The canonical SMILES for [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is Cc1ccc(-c2cn3c(N4CCOCC4)nnc3cc2CN)c(Cl)c1.
What is the InChIKey of [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
The InChIKey is KMZWWVKYLAHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-12-2-3-14(16(19)8-12)15-11-24-17(9-13(15)10-20)21-22-18(24)23-4-6-25-7-5-23/h2-3,8-9,11H,4-7,10,20H2,1H3.
What are the key properties of [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine?
[6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine has a molecular weight of 357.85 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-4-methylphenyl)-3-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 143550755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).