3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C19H21ClN4O — CID 71235299

IUPAC3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCOC1CCC(Nc2ccc3nnc(-c4cccc(Cl)c4)n3c2)CC1
InChIInChI=1S/C19H21ClN4O/c1-25-17-8-5-15(6-9-17)21-16-7-10-18-22-23-19(24(18)12-16)13-3-2-4-14(20)11-13/h2-4,7,10-12,15,17,21H,5-6,8-9H2,1H3
InChIKeyCNZHYCOOHWGPNC-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.42
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 71235299) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID71235299
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCOC1CCC(Nc2ccc3nnc(-c4cccc(Cl)c4)n3c2)CC1
InChIInChI=1S/C19H21ClN4O/c1-25-17-8-5-15(6-9-17)21-16-7-10-18-22-23-19(24(18)12-16)13-3-2-4-14(20)11-13/h2-4,7,10-12,15,17,21H,5-6,8-9H2,1H3
InChIKeyCNZHYCOOHWGPNC-UHFFFAOYSA-N
XLogP4.42
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 71235299) is 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is COC1CCC(Nc2ccc3nnc(-c4cccc(Cl)c4)n3c2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is CNZHYCOOHWGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-25-17-8-5-15(6-9-17)21-16-7-10-18-22-23-19(24(18)12-16)13-3-2-4-14(20)11-13/h2-4,7,10-12,15,17,21H,5-6,8-9H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 356.86 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(4-methoxycyclohexyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 71235299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).