5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

C16H13F3N6O — CID 44564727

IUPAC5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]nc1NCc1ccncc1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)11-1-3-12(4-2-11)22-15(26)13-14(24-25-23-13)21-9-10-5-7-20-8-6-10/h1-8H,9H2,(H,22,26)(H2,21,23,24,25)
InChIKeyLBPHTESOYSCSHT-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.08
Rot. Bonds5

About 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide

5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 44564727) has the molecular formula C16H13F3N6O and a molecular weight of 362.32 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID44564727
Molecular FormulaC16H13F3N6O
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC Name5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]nc1NCc1ccncc1
InChIInChI=1S/C16H13F3N6O/c17-16(18,19)11-1-3-12(4-2-11)22-15(26)13-14(24-25-23-13)21-9-10-5-7-20-8-6-10/h1-8H,9H2,(H,22,26)(H2,21,23,24,25)
InChIKeyLBPHTESOYSCSHT-UHFFFAOYSA-N
XLogP3.08
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
3-chloro-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 122535159
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 29406369
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide (CID 44564727) is 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]nc1NCc1ccncc1.
What is the InChIKey of 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is LBPHTESOYSCSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O/c17-16(18,19)11-1-3-12(4-2-11)22-15(26)13-14(24-25-23-13)21-9-10-5-7-20-8-6-10/h1-8H,9H2,(H,22,26)(H2,21,23,24,25).
What are the key properties of 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide?
5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 362.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 44564727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).