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

C7H8F2N4O — CID 150815057

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CC2(F)F)n1
InChIInChI=1S/C7H8F2N4O/c8-7(9)1-4(7)2-13-3-11-6(12-13)5(10)14/h3-4H,1-2H2,(H2,10,14)
InChIKeyKIRUYTYEVIVJDB-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.03
Rot. Bonds3

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

1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 150815057) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID150815057
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CC2(F)F)n1
InChIInChI=1S/C7H8F2N4O/c8-7(9)1-4(7)2-13-3-11-6(12-13)5(10)14/h3-4H,1-2H2,(H2,10,14)
InChIKeyKIRUYTYEVIVJDB-UHFFFAOYSA-N
XLogP0.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 67183316
1-[[3-(Trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
CID 142742590
1-[(3,3-Difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225341
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
4-(2,2,3,3,3-Pentafluoropropyl)-1,2,4-triazole-3-carboxamide
CID 169094234
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(1,1-Difluoropropan-2-yl)-1,2,4-triazole-3-carboxamide
CID 175864486
2-(2,2-Difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864494
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175864509
2-(3-Fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864546

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide (CID 150815057) is 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CC2CC2(F)F)n1.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KIRUYTYEVIVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c8-7(9)1-4(7)2-13-3-11-6(12-13)5(10)14/h3-4H,1-2H2,(H2,10,14).
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide?
1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 202.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 150815057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).