N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide

C8H12N4O — CID 60660009

IUPACN-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCC1
InChIInChI=1S/C8H12N4O/c13-7(6-3-1-2-4-6)11-8-9-5-10-12-8/h5-6H,1-4H2,(H2,9,10,11,12,13)
InChIKeyZFALQYWBKSNZTP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.93
Rot. Bonds2

About N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide

N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide (PubChem CID 60660009) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide
PubChem CID60660009
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCC1
InChIInChI=1S/C8H12N4O/c13-7(6-3-1-2-4-6)11-8-9-5-10-12-8/h5-6H,1-4H2,(H2,9,10,11,12,13)
InChIKeyZFALQYWBKSNZTP-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide (CID 60660009) is N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide is O=C(Nc1ncn[nH]1)C1CCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide?
The InChIKey is ZFALQYWBKSNZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-7(6-3-1-2-4-6)11-8-9-5-10-12-8/h5-6H,1-4H2,(H2,9,10,11,12,13).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide?
N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)cyclopentanecarboxamide is sourced from PubChem (CID 60660009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).