5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C13H15ClN4O — CID 82557228

IUPAC5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Cl)cc1C1CCCc2nc(N)nn21
InChIInChI=1S/C13H15ClN4O/c1-19-11-6-5-8(14)7-9(11)10-3-2-4-12-16-13(15)17-18(10)12/h5-7,10H,2-4H2,1H3,(H2,15,17)
InChIKeySKNUYLHPSWCGTR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.45
Rot. Bonds2

About 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557228) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557228
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(Cl)cc1C1CCCc2nc(N)nn21
InChIInChI=1S/C13H15ClN4O/c1-19-11-6-5-8(14)7-9(11)10-3-2-4-12-16-13(15)17-18(10)12/h5-7,10H,2-4H2,1H3,(H2,15,17)
InChIKeySKNUYLHPSWCGTR-UHFFFAOYSA-N
XLogP2.45
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]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 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557228) is 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(Cl)cc1C1CCCc2nc(N)nn21.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SKNUYLHPSWCGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-19-11-6-5-8(14)7-9(11)10-3-2-4-12-16-13(15)17-18(10)12/h5-7,10H,2-4H2,1H3,(H2,15,17).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).