N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

C15H20N4O2 — CID 53497893

IUPACN-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CC1c1ccc(CN(C)C(=O)C(C)n2cncn2)o1
InChIInChI=1S/C15H20N4O2/c1-10-6-13(10)14-5-4-12(21-14)7-18(3)15(20)11(2)19-9-16-8-17-19/h4-5,8-11,13H,6-7H2,1-3H3
InChIKeyAYNOOHBCSREKCI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide

N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 53497893) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID53497893
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC1CC1c1ccc(CN(C)C(=O)C(C)n2cncn2)o1
InChIInChI=1S/C15H20N4O2/c1-10-6-13(10)14-5-4-12(21-14)7-18(3)15(20)11(2)19-9-16-8-17-19/h4-5,8-11,13H,6-7H2,1-3H3
InChIKeyAYNOOHBCSREKCI-UHFFFAOYSA-N
XLogP2.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 53497893) is N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is CC1CC1c1ccc(CN(C)C(=O)C(C)n2cncn2)o1.
What is the InChIKey of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is AYNOOHBCSREKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-6-13(10)14-5-4-12(21-14)7-18(3)15(20)11(2)19-9-16-8-17-19/h4-5,8-11,13H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 53497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).