methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C7H10N4O — CID 158398126

IUPACmethane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESC.Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C6H6N4O.CH4/c1-4-2-5(11)10-6(9-4)7-3-8-10;/h2-3H,1H3,(H,7,8,9);1H4
InChIKeySXGPANCIDMVXJD-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.36
Rot. Bonds

About methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 158398126) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Namemethane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID158398126
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Namemethane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESC.Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C6H6N4O.CH4/c1-4-2-5(11)10-6(9-4)7-3-8-10;/h2-3H,1H3,(H,7,8,9);1H4
InChIKeySXGPANCIDMVXJD-UHFFFAOYSA-N
XLogP0.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methane;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 methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 158398126) is methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is C.Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SXGPANCIDMVXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O.CH4/c1-4-2-5(11)10-6(9-4)7-3-8-10;/h2-3H,1H3,(H,7,8,9);1H4.
What are the key properties of methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 166.18 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 158398126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).