1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide

C14H24N4O2S — CID 138009395

IUPAC1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
SMILESCC1CCCC(CS(=O)(=O)NC2CCCn3ncnc32)C1
InChIInChI=1S/C14H24N4O2S/c1-11-4-2-5-12(8-11)9-21(19,20)17-13-6-3-7-18-14(13)15-10-16-18/h10-13,17H,2-9H2,1H3
InChIKeySXHOWOVBFYOJAQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide

1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide (PubChem CID 138009395) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
PubChem CID138009395
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
SMILESCC1CCCC(CS(=O)(=O)NC2CCCn3ncnc32)C1
InChIInChI=1S/C14H24N4O2S/c1-11-4-2-5-12(8-11)9-21(19,20)17-13-6-3-7-18-14(13)15-10-16-18/h10-13,17H,2-9H2,1H3
InChIKeySXHOWOVBFYOJAQ-UHFFFAOYSA-N
XLogP1.86
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
The IUPAC name of 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide (CID 138009395) is 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
The canonical SMILES for 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide is CC1CCCC(CS(=O)(=O)NC2CCCn3ncnc32)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
The InChIKey is SXHOWOVBFYOJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-4-2-5-12(8-11)9-21(19,20)17-13-6-3-7-18-14(13)15-10-16-18/h10-13,17H,2-9H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide?
1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide is sourced from PubChem (CID 138009395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).