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

C15H19Cl2F3N6O — CID 119441427

IUPACN-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C15H17F3N6O.2ClH/c1-23(11-4-6-19-7-5-11)14(25)12-9-24(22-21-12)13-3-2-10(8-20-13)15(16,17)18;;/h2-3,8-9,11,19H,4-7H2,1H3;2*1H
InChIKeyJCLGRDHGXDIZGW-UHFFFAOYSA-N
MW427.26 g/mol
LogP2.35
Rot. Bonds3

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

N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride (PubChem CID 119441427) has the molecular formula C15H19Cl2F3N6O and a molecular weight of 427.26 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride
PubChem CID119441427
Molecular FormulaC15H19Cl2F3N6O
Molecular Weight427.26 g/mol
Exact Mass426.09
IUPAC NameN-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C15H17F3N6O.2ClH/c1-23(11-4-6-19-7-5-11)14(25)12-9-24(22-21-12)13-3-2-10(8-20-13)15(16,17)18;;/h2-3,8-9,11,19H,4-7H2,1H3;2*1H
InChIKeyJCLGRDHGXDIZGW-UHFFFAOYSA-N
XLogP2.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride (CID 119441427) is N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride is CN(C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride?
The InChIKey is JCLGRDHGXDIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O.2ClH/c1-23(11-4-6-19-7-5-11)14(25)12-9-24(22-21-12)13-3-2-10(8-20-13)15(16,17)18;;/h2-3,8-9,11,19H,4-7H2,1H3;2*1H.
What are the key properties of N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride?
N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride has a molecular weight of 427.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).