4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one

C11H20N4O — CID 159039120

IUPAC4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one
SMILESCC(C)NC(Cn1ccnn1)C(=O)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)11(16)10(13-9(3)4)7-15-6-5-12-14-15/h5-6,8-10,13H,7H2,1-4H3
InChIKeyOUJIEKPTTZGAPT-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.87
Rot. Bonds6

About 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one

4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one (PubChem CID 159039120) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one
PubChem CID159039120
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one
SMILESCC(C)NC(Cn1ccnn1)C(=O)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)11(16)10(13-9(3)4)7-15-6-5-12-14-15/h5-6,8-10,13H,7H2,1-4H3
InChIKeyOUJIEKPTTZGAPT-UHFFFAOYSA-N
XLogP0.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one 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 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one?
The IUPAC name of 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one (CID 159039120) is 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one?
The canonical SMILES for 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one is CC(C)NC(Cn1ccnn1)C(=O)C(C)C.
What is the InChIKey of 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one?
The InChIKey is OUJIEKPTTZGAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)11(16)10(13-9(3)4)7-15-6-5-12-14-15/h5-6,8-10,13H,7H2,1-4H3.
What are the key properties of 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one?
4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one has a molecular weight of 224.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-ylamino)-1-(triazol-1-yl)pentan-3-one is sourced from PubChem (CID 159039120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).