N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C15H24N6O — CID 72922086

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1nc(C)n(CCNC(=O)C(C)n2ccnc2C(C)C)n1
InChIInChI=1S/C15H24N6O/c1-10(2)14-16-6-8-20(14)11(3)15(22)17-7-9-21-13(5)18-12(4)19-21/h6,8,10-11H,7,9H2,1-5H3,(H,17,22)
InChIKeyQQCZHYVOCVGSGA-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72922086) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72922086
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1nc(C)n(CCNC(=O)C(C)n2ccnc2C(C)C)n1
InChIInChI=1S/C15H24N6O/c1-10(2)14-16-6-8-20(14)11(3)15(22)17-7-9-21-13(5)18-12(4)19-21/h6,8,10-11H,7,9H2,1-5H3,(H,17,22)
InChIKeyQQCZHYVOCVGSGA-UHFFFAOYSA-N
XLogP1.59
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72922086) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is Cc1nc(C)n(CCNC(=O)C(C)n2ccnc2C(C)C)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is QQCZHYVOCVGSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-10(2)14-16-6-8-20(14)11(3)15(22)17-7-9-21-13(5)18-12(4)19-21/h6,8,10-11H,7,9H2,1-5H3,(H,17,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 304.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72922086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).