N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide

C8H14N4O — CID 42947749

IUPACN-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C8H14N4O/c1-6(2)11-8(13)7(3)12-5-9-4-10-12/h4-7H,1-3H3,(H,11,13)
InChIKeyFMFCFLWJIXWTQQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.36
Rot. Bonds3

About N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide

N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42947749) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42947749
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)n1cncn1
InChIInChI=1S/C8H14N4O/c1-6(2)11-8(13)7(3)12-5-9-4-10-12/h4-7H,1-3H3,(H,11,13)
InChIKeyFMFCFLWJIXWTQQ-UHFFFAOYSA-N
XLogP0.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide 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 N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 42947749) is N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide is CC(C)NC(=O)C(C)n1cncn1.
What is the InChIKey of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FMFCFLWJIXWTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(2)11-8(13)7(3)12-5-9-4-10-12/h4-7H,1-3H3,(H,11,13).
What are the key properties of N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42947749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).