N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C18H18N4O2 — CID 86851741

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)C2CC2c2ccco2)c1
InChIInChI=1S/C18H18N4O2/c1-2-22-11-19-21-17(22)12-5-3-6-13(9-12)20-18(23)15-10-14(15)16-7-4-8-24-16/h3-9,11,14-15H,2,10H2,1H3,(H,20,23)
InChIKeyUHCBNMVRMOTWJG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.30
Rot. Bonds5

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 86851741) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID86851741
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCCn1cnnc1-c1cccc(NC(=O)C2CC2c2ccco2)c1
InChIInChI=1S/C18H18N4O2/c1-2-22-11-19-21-17(22)12-5-3-6-13(9-12)20-18(23)15-10-14(15)16-7-4-8-24-16/h3-9,11,14-15H,2,10H2,1H3,(H,20,23)
InChIKeyUHCBNMVRMOTWJG-UHFFFAOYSA-N
XLogP3.30
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 86851741) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is CCn1cnnc1-c1cccc(NC(=O)C2CC2c2ccco2)c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UHCBNMVRMOTWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-22-11-19-21-17(22)12-5-3-6-13(9-12)20-18(23)15-10-14(15)16-7-4-8-24-16/h3-9,11,14-15H,2,10H2,1H3,(H,20,23).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86851741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).