N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide

C8H12N4O — CID 847898

IUPACN-cyclopentyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ncn[nH]1
InChIInChI=1S/C8H12N4O/c13-8(7-9-5-10-12-7)11-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,13)(H,9,10,12)
InChIKeySFWHSKAFIMRRMY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.48
Rot. Bonds2

About N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide

N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 847898) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID847898
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-cyclopentyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ncn[nH]1
InChIInChI=1S/C8H12N4O/c13-8(7-9-5-10-12-7)11-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,13)(H,9,10,12)
InChIKeySFWHSKAFIMRRMY-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide (CID 847898) is N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide is O=C(NC1CCCC1)c1ncn[nH]1.
What is the InChIKey of N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SFWHSKAFIMRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-8(7-9-5-10-12-7)11-6-3-1-2-4-6/h5-6H,1-4H2,(H,11,13)(H,9,10,12).
What are the key properties of N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide?
N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 847898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).