N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide

C16H19FN4O — CID 23610473

IUPACN-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H19FN4O/c17-12-7-9-14(10-8-12)21-11-15(19-20-21)16(22)18-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H,18,22)
InChIKeyLWZGJHOUZJZJFS-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.86
Rot. Bonds3

About N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide

N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 23610473) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID23610473
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C16H19FN4O/c17-12-7-9-14(10-8-12)21-11-15(19-20-21)16(22)18-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H,18,22)
InChIKeyLWZGJHOUZJZJFS-UHFFFAOYSA-N
XLogP2.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide (CID 23610473) is N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide is O=C(NC1CCCCCC1)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is LWZGJHOUZJZJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-12-7-9-14(10-8-12)21-11-15(19-20-21)16(22)18-13-5-3-1-2-4-6-13/h7-11,13H,1-6H2,(H,18,22).
What are the key properties of N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide?
N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 23610473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).