2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H17N5O — CID 114455413

IUPAC2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCC(C)C(N)c1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C11H17N5O/c1-4-6(2)9(12)10-14-11-13-7(3)5-8(17)16(11)15-10/h5-6,9H,4,12H2,1-3H3,(H,13,14,15)
InChIKeyDCEMUURZZAIOJS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.77
Rot. Bonds3

About 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455413) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455413
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCC(C)C(N)c1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C11H17N5O/c1-4-6(2)9(12)10-14-11-13-7(3)5-8(17)16(11)15-10/h5-6,9H,4,12H2,1-3H3,(H,13,14,15)
InChIKeyDCEMUURZZAIOJS-UHFFFAOYSA-N
XLogP0.77
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455413) is 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCC(C)C(N)c1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DCEMUURZZAIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-6(2)9(12)10-14-11-13-7(3)5-8(17)16(11)15-10/h5-6,9H,4,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 235.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylbutyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).