5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide

C16H14FN5O — CID 4546892

IUPAC5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccccc3F)c2N)c1
InChIInChI=1S/C16H14FN5O/c1-10-5-4-6-11(9-10)22-15(18)14(20-21-22)16(23)19-13-8-3-2-7-12(13)17/h2-9H,18H2,1H3,(H,19,23)
InChIKeyCNPLOTRVDNBUTO-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.55
Rot. Bonds3

About 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide

5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 4546892) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID4546892
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccccc3F)c2N)c1
InChIInChI=1S/C16H14FN5O/c1-10-5-4-6-11(9-10)22-15(18)14(20-21-22)16(23)19-13-8-3-2-7-12(13)17/h2-9H,18H2,1H3,(H,19,23)
InChIKeyCNPLOTRVDNBUTO-UHFFFAOYSA-N
XLogP2.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 17015713
5-amino-N-(2,3-dimethylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 27262034
5-amino-N-benzyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 3238804
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
5-amino-N-cyclopentyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 4102161
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 56573213
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-(3-bromophenyl)-N-(3-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 99813025
N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 4546892) is 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3ccccc3F)c2N)c1.
What is the InChIKey of 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is CNPLOTRVDNBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-10-5-4-6-11(9-10)22-15(18)14(20-21-22)16(23)19-13-8-3-2-7-12(13)17/h2-9H,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 4546892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).