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

C9H11F3N4O — CID 142742590

IUPAC1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CC(C(F)(F)F)C2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-1-5(2-6)3-16-4-14-8(15-16)7(13)17/h4-6H,1-3H2,(H2,13,17)
InChIKeyIZBVNLITAFYBLM-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.97
Rot. Bonds3

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

1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 142742590) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
PubChem CID142742590
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CC2CC(C(F)(F)F)C2)n1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)6-1-5(2-6)3-16-4-14-8(15-16)7(13)17/h4-6H,1-3H2,(H2,13,17)
InChIKeyIZBVNLITAFYBLM-UHFFFAOYSA-N
XLogP0.97
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-Difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
CID 159487913
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-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile
CID 47288421
[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-Pentyl-1,2,4-triazole-3-carboxamide
CID 70609428

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide (CID 142742590) is 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CC2CC(C(F)(F)F)C2)n1.
What is the InChIKey of 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is IZBVNLITAFYBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)6-1-5(2-6)3-16-4-14-8(15-16)7(13)17/h4-6H,1-3H2,(H2,13,17).
What are the key properties of 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide?
1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142742590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).