2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide

C16H23N5O2 — CID 136560378

IUPAC2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CCCCC1C)c1nnc2c(=O)[nH]ccn12
InChIInChI=1S/C16H23N5O2/c1-10-5-3-4-6-12(10)9-13(22)18-11(2)14-19-20-15-16(23)17-7-8-21(14)15/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyWPNUCXQRHUAPLZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide

2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide (PubChem CID 136560378) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide
PubChem CID136560378
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1CCCCC1C)c1nnc2c(=O)[nH]ccn12
InChIInChI=1S/C16H23N5O2/c1-10-5-3-4-6-12(10)9-13(22)18-11(2)14-19-20-15-16(23)17-7-8-21(14)15/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyWPNUCXQRHUAPLZ-UHFFFAOYSA-N
XLogP1.81
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide (CID 136560378) is 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide is CC(NC(=O)CC1CCCCC1C)c1nnc2c(=O)[nH]ccn12.
What is the InChIKey of 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide?
The InChIKey is WPNUCXQRHUAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-5-3-4-6-12(10)9-13(22)18-11(2)14-19-20-15-16(23)17-7-8-21(14)15/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,23)(H,18,22).
What are the key properties of 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide?
2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-N-[1-(8-oxo-7H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]acetamide is sourced from PubChem (CID 136560378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).