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3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine

C24H29N3O — CID 122488721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(OCC2(c3ccccc3)CCCCC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C24H29N3O/c1-18-21(12-15-27-22(16-19-10-11-19)25-26-23(18)27)28-17-24(13-6-3-7-14-24)20-8-4-2-5-9-20/h2,4-5,8-9,12,15,19H,3,6-7,10-11,13-14,16-17H2,1H3
InChIKeyHSCINNSJJIVPTC-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.27
Rot. Bonds6

About 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine

3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 122488721) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID122488721
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1c(OCC2(c3ccccc3)CCCCC2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C24H29N3O/c1-18-21(12-15-27-22(16-19-10-11-19)25-26-23(18)27)28-17-24(13-6-3-7-14-24)20-8-4-2-5-9-20/h2,4-5,8-9,12,15,19H,3,6-7,10-11,13-14,16-17H2,1H3
InChIKeyHSCINNSJJIVPTC-UHFFFAOYSA-N
XLogP5.27
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine (CID 122488721) is 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(OCC2(c3ccccc3)CCCCC2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HSCINNSJJIVPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-21(12-15-27-22(16-19-10-11-19)25-26-23(18)27)28-17-24(13-6-3-7-14-24)20-8-4-2-5-9-20/h2,4-5,8-9,12,15,19H,3,6-7,10-11,13-14,16-17H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 375.52 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-methyl-7-[(1-phenylcyclohexyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 122488721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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