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

C8H10F2N4O — CID 159487913

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C8H10F2N4O/c9-8(10)1-5(2-8)3-14-4-12-7(13-14)6(11)15/h4-5H,1-3H2,(H2,11,15)
InChIKeyWUSXCGGSJJVRNP-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.42
Rot. Bonds3

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

1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 159487913) has the molecular formula C8H10F2N4O and a molecular weight of 216.19 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID159487913
Molecular FormulaC8H10F2N4O
Molecular Weight216.19 g/mol
Exact Mass216.08
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C8H10F2N4O/c9-8(10)1-5(2-8)3-14-4-12-7(13-14)6(11)15/h4-5H,1-3H2,(H2,11,15)
InChIKeyWUSXCGGSJJVRNP-UHFFFAOYSA-N
XLogP0.42
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.42
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
1-[(3,3-Difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225341
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-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxamide
CID 159716903
2-(2,2-Difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864468
2-(3-Fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175864546
[1-[(3,3-Difluorocyclobutyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 131138350
2-{4-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl}acetamide formate
CID 131911698
2-{3-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl}acetamide
CID 131914577
1-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxamide
CID 152355701
1-Pentyl-1,2,4-triazole-3-carboxamide
CID 70609428

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide (CID 159487913) is 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CC2CC(F)(F)C2)n1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WUSXCGGSJJVRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O/c9-8(10)1-5(2-8)3-14-4-12-7(13-14)6(11)15/h4-5H,1-3H2,(H2,11,15).
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide?
1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 216.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 159487913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).