5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide

C16H14FN5O — CID 27266266

IUPAC5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide
SMILESCN(C(=O)c1nnn(-c2ccc(F)cc2)c1N)c1ccccc1
InChIInChI=1S/C16H14FN5O/c1-21(12-5-3-2-4-6-12)16(23)14-15(18)22(20-19-14)13-9-7-11(17)8-10-13/h2-10H,18H2,1H3
InChIKeyIPUPZIXRSWLEMC-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide

5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide (PubChem CID 27266266) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide
PubChem CID27266266
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide
SMILESCN(C(=O)c1nnn(-c2ccc(F)cc2)c1N)c1ccccc1
InChIInChI=1S/C16H14FN5O/c1-21(12-5-3-2-4-6-12)16(23)14-15(18)22(20-19-14)13-9-7-11(17)8-10-13/h2-10H,18H2,1H3
InChIKeyIPUPZIXRSWLEMC-UHFFFAOYSA-N
XLogP2.27
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 1460729
1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16649276
1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide
CID 16654306
5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 6498277
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015784
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135686423
5-benzyl-1-(4-fluorophenyl)triazole-4-carboxylic acid
CID 82201307
methyl 5-amino-1-(4-aminophenyl)triazole-4-carboxylate
CID 13135877

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide (CID 27266266) is 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide is CN(C(=O)c1nnn(-c2ccc(F)cc2)c1N)c1ccccc1.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide?
The InChIKey is IPUPZIXRSWLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-21(12-5-3-2-4-6-12)16(23)14-15(18)22(20-19-14)13-9-7-11(17)8-10-13/h2-10H,18H2,1H3.
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide?
5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 27266266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).