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

C16H14FN5O — CID 3245537

IUPAC5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1
InChIInChI=1S/C16H14FN5O/c1-10-3-2-4-13(9-10)22-15(18)14(20-21-22)16(23)19-12-7-5-11(17)6-8-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyWOYPWPFAXPDJAV-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.55
Rot. Bonds3

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

5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide (PubChem CID 3245537) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
PubChem CID3245537
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1
InChIInChI=1S/C16H14FN5O/c1-10-3-2-4-13(9-10)22-15(18)14(20-21-22)16(23)19-12-7-5-11(17)6-8-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyWOYPWPFAXPDJAV-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide (CID 3245537) is 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1.
What is the InChIKey of 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is WOYPWPFAXPDJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-10-3-2-4-13(9-10)22-15(18)14(20-21-22)16(23)19-12-7-5-11(17)6-8-12/h2-9H,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide?
5-amino-N-(4-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-(4-fluorophenyl)-1-(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 3245537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).