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

C14H15F3N6O — CID 119386131

IUPACN-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)9-1-2-12(19-7-9)23-8-11(21-22-23)13(24)20-10-3-5-18-6-4-10/h1-2,7-8,10,18H,3-6H2,(H,20,24)
InChIKeyVKKLXDHGUGPLFI-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.16
Rot. Bonds3

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

N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide (PubChem CID 119386131) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
PubChem CID119386131
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC NameN-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)9-1-2-12(19-7-9)23-8-11(21-22-23)13(24)20-10-3-5-18-6-4-10/h1-2,7-8,10,18H,3-6H2,(H,20,24)
InChIKeyVKKLXDHGUGPLFI-UHFFFAOYSA-N
XLogP1.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride
CID 119441427
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 119572533
N-(3-hydroxybutyl)-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide
CID 111428828
N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 119388462
(2R)-3-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]butanoic acid
CID 119368494
3-methyl-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]butanoic acid
CID 119348310
N-(azetidin-3-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737184
4-[[[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542681
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119538739
[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-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide (CID 119386131) is N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide is O=C(NC1CCNCC1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1.
What is the InChIKey of N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
The InChIKey is VKKLXDHGUGPLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c15-14(16,17)9-1-2-12(19-7-9)23-8-11(21-22-23)13(24)20-10-3-5-18-6-4-10/h1-2,7-8,10,18H,3-6H2,(H,20,24).
What are the key properties of N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide?
N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide is sourced from PubChem (CID 119386131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).