5-amino-1-(4-fluorophenyl)triazole-4-carboxamide

C9H8FN5O — CID 1460729

IUPAC5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESNC(=O)c1nnn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C9H8FN5O/c10-5-1-3-6(4-2-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16)
InChIKeyQMJUTLYVBPCPJS-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.09
Rot. Bonds2

About 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide

5-amino-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 1460729) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID1460729
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESNC(=O)c1nnn(-c2ccc(F)cc2)c1N
InChIInChI=1S/C9H8FN5O/c10-5-1-3-6(4-2-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16)
InChIKeyQMJUTLYVBPCPJS-UHFFFAOYSA-N
XLogP0.09
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(4-fluorophenyl)-N-methyl-N-phenyltriazole-4-carboxamide
CID 27266266
5-amino-1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 6498277
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
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
methyl 5-amino-1-(4-aminophenyl)triazole-4-carboxylate
CID 13135877
ethyl 5-amino-1-(4-carbamoylphenyl)triazole-4-carboxylate
CID 82195352
5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015793
methyl 5-ethyl-1-(4-fluorophenyl)triazole-4-carboxylate
CID 94068968
5-amino-1-(4-nitrophenyl)triazole-4-carboxylic acid
CID 66524061
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide (CID 1460729) is 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide is NC(=O)c1nnn(-c2ccc(F)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is QMJUTLYVBPCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c10-5-1-3-6(4-2-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16).
What are the key properties of 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide?
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 221.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 1460729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).