cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide

C17H16N4O2 — CID 97204303

IUPACcis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1
InChIInChI=1S/C17H16N4O2/c1-21-10-18-20-16(21)11-4-2-5-12(8-11)19-17(22)14-9-13(14)15-6-3-7-23-15/h2-8,10,13-14H,9H2,1H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyZCVWIXDQWXDALR-UONOGXRCSA-N
MW308.34 g/mol
LogP2.82
Rot. Bonds4

About cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 97204303) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID97204303
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Namecis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1
InChIInChI=1S/C17H16N4O2/c1-21-10-18-20-16(21)11-4-2-5-12(8-11)19-17(22)14-9-13(14)15-6-3-7-23-15/h2-8,10,13-14H,9H2,1H3,(H,19,22)/t13-,14+/m0/s1
InChIKeyZCVWIXDQWXDALR-UONOGXRCSA-N
XLogP2.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide (CID 97204303) is cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide is Cn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1.
What is the InChIKey of cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZCVWIXDQWXDALR-UONOGXRCSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-10-18-20-16(21)11-4-2-5-12(8-11)19-17(22)14-9-13(14)15-6-3-7-23-15/h2-8,10,13-14H,9H2,1H3,(H,19,22)/t13-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(furan-2-yl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97204303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).