N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

C10H13F3N4O — CID 78954335

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H13F3N4O/c1-6(7-2-3-7)17(5-10(11,12)13)9(18)8-4-14-16-15-8/h4,6-7H,2-3,5H2,1H3,(H,14,15,16)
InChIKeyVCFVCNJHMULBFB-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.61
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (PubChem CID 78954335) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
PubChem CID78954335
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cn[nH]n1
InChIInChI=1S/C10H13F3N4O/c1-6(7-2-3-7)17(5-10(11,12)13)9(18)8-4-14-16-15-8/h4,6-7H,2-3,5H2,1H3,(H,14,15,16)
InChIKeyVCFVCNJHMULBFB-UHFFFAOYSA-N
XLogP1.61
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylbutyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 53509796
N-cyclobutyl-N-(cyclopropylmethyl)-2H-triazole-4-carboxamide
CID 128207156
2H-triazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129375621
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
N-[4-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 47338305
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014
1-(2-aminoethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 65944898
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide
CID 71979288
N-ethyl-1-(2H-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998429
N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
CID 72014244
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide
CID 78942019
N-[2-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 78968013

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide (CID 78954335) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1cn[nH]n1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
The InChIKey is VCFVCNJHMULBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6(7-2-3-7)17(5-10(11,12)13)9(18)8-4-14-16-15-8/h4,6-7H,2-3,5H2,1H3,(H,14,15,16).
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78954335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).