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

C10H14N4O — CID 7337779

IUPAC5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC(C)C)nc2n1
InChIInChI=1S/C10H14N4O/c1-6(2)4-8-12-10-11-7(3)5-9(15)14(10)13-8/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyBVOUQEJBQWHRNA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds2

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

5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 7337779) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID7337779
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC(C)C)nc2n1
InChIInChI=1S/C10H14N4O/c1-6(2)4-8-12-10-11-7(3)5-9(15)14(10)13-8/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyBVOUQEJBQWHRNA-UHFFFAOYSA-N
XLogP0.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(2-methylpropyl)-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 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 7337779) is 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CC(C)C)nc2n1.
What is the InChIKey of 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BVOUQEJBQWHRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)4-8-12-10-11-7(3)5-9(15)14(10)13-8/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 206.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpropyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 7337779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).