1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide

C9H12F2N4O — CID 145225341

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CCC(F)(F)C2)n1
InChIInChI=1S/C9H12F2N4O/c10-9(11)2-1-6(3-9)4-15-5-13-8(14-15)7(12)16/h5-6H,1-4H2,(H2,12,16)
InChIKeyBUOJUQIEVNIHTL-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.81
Rot. Bonds3

About 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide

1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 145225341) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID145225341
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CCC(F)(F)C2)n1
InChIInChI=1S/C9H12F2N4O/c10-9(11)2-1-6(3-9)4-15-5-13-8(14-15)7(12)16/h5-6H,1-4H2,(H2,12,16)
InChIKeyBUOJUQIEVNIHTL-UHFFFAOYSA-N
XLogP0.81
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(Trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
CID 142742590
(2S)-3-cyclopentyl-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]propanamide
CID 143956085
1-[(2,2-Difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
CID 150815057
1-[(4,4-Difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 157566266
1-[(3,3-Difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
CID 159487913
1-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3,3-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397026
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397192
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397373
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3-fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397414
1-(5-Fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide
CID 177345568

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide (CID 145225341) is 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CC2CCC(F)(F)C2)n1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is BUOJUQIEVNIHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-9(11)2-1-6(3-9)4-15-5-13-8(14-15)7(12)16/h5-6H,1-4H2,(H2,12,16).
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 145225341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).