N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide

C9H12N4O — CID 131204421

IUPACN-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cn[nH]n1)C1CC=CC1
InChIInChI=1S/C9H12N4O/c14-9(7-3-1-2-4-7)10-5-8-6-11-13-12-8/h1-2,6-7H,3-5H2,(H,10,14)(H,11,12,13)
InChIKeyHQAJQWZYOUKJRS-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.39
Rot. Bonds3

About N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide

N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 131204421) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
PubChem CID131204421
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cn[nH]n1)C1CC=CC1
InChIInChI=1S/C9H12N4O/c14-9(7-3-1-2-4-7)10-5-8-6-11-13-12-8/h1-2,6-7H,3-5H2,(H,10,14)(H,11,12,13)
InChIKeyHQAJQWZYOUKJRS-UHFFFAOYSA-N
XLogP0.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide (CID 131204421) is N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide is O=C(NCc1cn[nH]n1)C1CC=CC1.
What is the InChIKey of N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is HQAJQWZYOUKJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-9(7-3-1-2-4-7)10-5-8-6-11-13-12-8/h1-2,6-7H,3-5H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide?
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 131204421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).