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

C15H20N4O2 — CID 71985193

IUPAC2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)C1CC1c1ccco1
InChIInChI=1S/C15H20N4O2/c1-10(2)14-18-17-9-19(14)6-5-16-15(20)12-8-11(12)13-4-3-7-21-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyMWZHBUZGEIQJPD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.91
Rot. Bonds6

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

2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 71985193) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID71985193
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)C1CC1c1ccco1
InChIInChI=1S/C15H20N4O2/c1-10(2)14-18-17-9-19(14)6-5-16-15(20)12-8-11(12)13-4-3-7-21-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyMWZHBUZGEIQJPD-UHFFFAOYSA-N
XLogP1.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 71985193) is 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide is CC(C)c1nncn1CCNC(=O)C1CC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is MWZHBUZGEIQJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)14-18-17-9-19(14)6-5-16-15(20)12-8-11(12)13-4-3-7-21-13/h3-4,7,9-12H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide?
2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71985193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).