1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide

C12H13FN4O2 — CID 134518690

IUPAC1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide
SMILESCON(C)C(=O)c1nnn(-c2ccccc2F)c1C
InChIInChI=1S/C12H13FN4O2/c1-8-11(12(18)16(2)19-3)14-15-17(8)10-7-5-4-6-9(10)13/h4-7H,1-3H3
InChIKeyYAKOFZLMLIXWOE-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide

1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide (PubChem CID 134518690) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide
PubChem CID134518690
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide
SMILESCON(C)C(=O)c1nnn(-c2ccccc2F)c1C
InChIInChI=1S/C12H13FN4O2/c1-8-11(12(18)16(2)19-3)14-15-17(8)10-7-5-4-6-9(10)13/h4-7H,1-3H3
InChIKeyYAKOFZLMLIXWOE-UHFFFAOYSA-N
XLogP1.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 46957228
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanediol
CID 163437904
(2-fluorophenyl)methyl 1-(2-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27374997
methyl 1-(2-fluorophenyl)-5-propyltriazole-4-carboxylate
CID 94068960
1-[3-(2-fluorophenyl)-5-methyltriazol-4-yl]ethanone
CID 67955069
1-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,5-dimethyltriazole-4-carboxamide
CID 111697965
5-methyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid
CID 43142067
[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
CID 53333518
1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16649276
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671062

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide (CID 134518690) is 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide is CON(C)C(=O)c1nnn(-c2ccccc2F)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide?
The InChIKey is YAKOFZLMLIXWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-8-11(12(18)16(2)19-3)14-15-17(8)10-7-5-4-6-9(10)13/h4-7H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide?
1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide has a molecular weight of 264.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methoxy-N,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 134518690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).