1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide

C10H8F3N5O — CID 118626202

IUPAC1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide
SMILESCn1nnc(C(=O)NC(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C10H8F3N5O/c1-18-8(6-4-2-3-5-14-6)7(16-17-18)9(19)15-10(11,12)13/h2-5H,1H3,(H,15,19)
InChIKeyFYQNBBBLGHINKM-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.13
Rot. Bonds2

About 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide

1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide (PubChem CID 118626202) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide
PubChem CID118626202
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide
SMILESCn1nnc(C(=O)NC(F)(F)F)c1-c1ccccn1
InChIInChI=1S/C10H8F3N5O/c1-18-8(6-4-2-3-5-14-6)7(16-17-18)9(19)15-10(11,12)13/h2-5H,1H3,(H,15,19)
InChIKeyFYQNBBBLGHINKM-UHFFFAOYSA-N
XLogP1.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide (CID 118626202) is 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide is Cn1nnc(C(=O)NC(F)(F)F)c1-c1ccccn1.
What is the InChIKey of 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide?
The InChIKey is FYQNBBBLGHINKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c1-18-8(6-4-2-3-5-14-6)7(16-17-18)9(19)15-10(11,12)13/h2-5H,1H3,(H,15,19).
What are the key properties of 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide?
1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyridin-2-yl-N-(trifluoromethyl)triazole-4-carboxamide is sourced from PubChem (CID 118626202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).