5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide

C9H14N4O — CID 90351416

IUPAC5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(CC2CCCC2)n1
InChIInChI=1S/C9H14N4O/c10-8(14)9-11-7(12-13-9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,10,14)(H,11,12,13)
InChIKeyVVZPOMXIMWHRGV-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.64
Rot. Bonds3

About 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide

5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 90351416) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID90351416
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(CC2CCCC2)n1
InChIInChI=1S/C9H14N4O/c10-8(14)9-11-7(12-13-9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,10,14)(H,11,12,13)
InChIKeyVVZPOMXIMWHRGV-UHFFFAOYSA-N
XLogP0.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide (CID 90351416) is 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(CC2CCCC2)n1.
What is the InChIKey of 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VVZPOMXIMWHRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8(14)9-11-7(12-13-9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,10,14)(H,11,12,13).
What are the key properties of 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide?
5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90351416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).