1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C12H11FN4O — CID 30864083

IUPAC1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H11FN4O/c13-9-3-1-8(2-4-9)12(5-6-12)10(18)16-11-14-7-15-17-11/h1-4,7H,5-6H2,(H2,14,15,16,17,18)
InChIKeyQWIRAXDCCYPRBL-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.61
Rot. Bonds3

About 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 30864083) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID30864083
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H11FN4O/c13-9-3-1-8(2-4-9)12(5-6-12)10(18)16-11-14-7-15-17-11/h1-4,7H,5-6H2,(H2,14,15,16,17,18)
InChIKeyQWIRAXDCCYPRBL-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 30864083) is 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ncn[nH]1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is QWIRAXDCCYPRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-9-3-1-8(2-4-9)12(5-6-12)10(18)16-11-14-7-15-17-11/h1-4,7H,5-6H2,(H2,14,15,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 30864083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).