N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide

C16H22N4O3 — CID 121116161

IUPACN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O
InChIInChI=1S/C16H22N4O3/c1-11(2)10-14(21)17-7-8-19-16(22)20(12-5-6-12)15(18-19)13-4-3-9-23-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyBBUFPIHXEJHCGK-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.80
Rot. Bonds7

About N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide (PubChem CID 121116161) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
PubChem CID121116161
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O
InChIInChI=1S/C16H22N4O3/c1-11(2)10-14(21)17-7-8-19-16(22)20(12-5-6-12)15(18-19)13-4-3-9-23-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyBBUFPIHXEJHCGK-UHFFFAOYSA-N
XLogP1.80
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide with MolForge

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Related Compounds

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide
CID 121116164
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 121116243
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121116241
1-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 121116320
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-phenylacetamide
CID 121117042
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 121117049
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121116137
tert-butyl 2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]acetate
CID 121117093
2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 121117106
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121116293
2-benzyl-4-cyclopropyl-5-(furan-2-yl)-1,2,4-triazol-3-one
CID 121117153
4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one
CID 71793579

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide (CID 121116161) is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCn1nc(-c2ccco2)n(C2CC2)c1=O.
What is the InChIKey of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide?
The InChIKey is BBUFPIHXEJHCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)10-14(21)17-7-8-19-16(22)20(12-5-6-12)15(18-19)13-4-3-9-23-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,17,21).
What are the key properties of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide?
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide has a molecular weight of 318.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 121116161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).