N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide

C15H17F3N6O — CID 119572533

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C1CC1
InChIInChI=1S/C15H17F3N6O/c1-14(8-19,9-2-3-9)21-13(25)11-7-24(23-22-11)12-5-4-10(6-20-12)15(16,17)18/h4-7,9H,2-3,8,19H2,1H3,(H,21,25)
InChIKeyDGSYHFYLXGXNED-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.54
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide (PubChem CID 119572533) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
PubChem CID119572533
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
SMILESCC(CN)(NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C1CC1
InChIInChI=1S/C15H17F3N6O/c1-14(8-19,9-2-3-9)21-13(25)11-7-24(23-22-11)12-5-4-10(6-20-12)15(16,17)18/h4-7,9H,2-3,8,19H2,1H3,(H,21,25)
InChIKeyDGSYHFYLXGXNED-UHFFFAOYSA-N
XLogP1.54
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 119386131
N-(3-hydroxybutyl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 111428828
3-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]butanoic acid
CID 119348310
(2R)-3-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]butanoic acid
CID 119368494
4-[[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542681
[3-(methylaminomethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119395099
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119538739
3-[methyl-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]propanoic acid
CID 119362390
N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride
CID 119441427
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 119575122
[3-(1-aminoethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119593032

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide (CID 119572533) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide is CC(CN)(NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The InChIKey is DGSYHFYLXGXNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-14(8-19,9-2-3-9)21-13(25)11-7-24(23-22-11)12-5-4-10(6-20-12)15(16,17)18/h4-7,9H,2-3,8,19H2,1H3,(H,21,25).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide is sourced from PubChem (CID 119572533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).