1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide

C10H13FN4O — CID 177345568

IUPAC1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide
SMILESC=C1C(C)CC(F)C1n1cnc(C(N)=O)n1
InChIInChI=1S/C10H13FN4O/c1-5-3-7(11)8(6(5)2)15-4-13-10(14-15)9(12)16/h4-5,7-8H,2-3H2,1H3,(H2,12,16)
InChIKeyWRSIBRLCWMDQIK-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.85
Rot. Bonds2

About 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide

1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide (PubChem CID 177345568) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide
PubChem CID177345568
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide
SMILESC=C1C(C)CC(F)C1n1cnc(C(N)=O)n1
InChIInChI=1S/C10H13FN4O/c1-5-3-7(11)8(6(5)2)15-4-13-10(14-15)9(12)16/h4-5,7-8H,2-3H2,1H3,(H2,12,16)
InChIKeyWRSIBRLCWMDQIK-UHFFFAOYSA-N
XLogP0.85
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3,3-Difluorocyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225341

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide (CID 177345568) is 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide is C=C1C(C)CC(F)C1n1cnc(C(N)=O)n1.
What is the InChIKey of 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WRSIBRLCWMDQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-5-3-7(11)8(6(5)2)15-4-13-10(14-15)9(12)16/h4-5,7-8H,2-3H2,1H3,(H2,12,16).
What are the key properties of 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide?
1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-2-methylidenecyclopentyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 177345568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).