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

C9H14N4O — CID 60981983

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCC1
InChIInChI=1S/C9H14N4O/c14-9(7-3-1-2-4-7)10-5-8-11-6-12-13-8/h6-7H,1-5H2,(H,10,14)(H,11,12,13)
InChIKeyZZBRMXYBZGGFNG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.61
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide (PubChem CID 60981983) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
PubChem CID60981983
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCC1
InChIInChI=1S/C9H14N4O/c14-9(7-3-1-2-4-7)10-5-8-11-6-12-13-8/h6-7H,1-5H2,(H,10,14)(H,11,12,13)
InChIKeyZZBRMXYBZGGFNG-UHFFFAOYSA-N
XLogP0.61
TPSA70.67 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063
N,1-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 136512967
cis-(1R,3S)-1,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 137995501
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78977006
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79001352
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929294
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932631
4,4-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 81932652
N-(1H-1,2,4-triazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932794
4,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 81932812

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide (CID 60981983) is N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide is O=C(NCc1ncn[nH]1)C1CCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
The InChIKey is ZZBRMXYBZGGFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(7-3-1-2-4-7)10-5-8-11-6-12-13-8/h6-7H,1-5H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.61, 3 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-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 60981983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).