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

C8H11N5O — CID 114455334

IUPAC5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCNCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H11N5O/c1-5-3-7(14)13-8(10-5)11-6(12-13)4-9-2/h3,9H,4H2,1-2H3,(H,10,11,12)
InChIKeyNAGYLXQVFHEJKC-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.55
Rot. Bonds2

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

5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455334) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455334
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCNCc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C8H11N5O/c1-5-3-7(14)13-8(10-5)11-6(12-13)4-9-2/h3,9H,4H2,1-2H3,(H,10,11,12)
InChIKeyNAGYLXQVFHEJKC-UHFFFAOYSA-N
XLogP-0.55
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-(methylaminomethyl)-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-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455334) is 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CNCc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NAGYLXQVFHEJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-3-7(14)13-8(10-5)11-6(12-13)4-9-2/h3,9H,4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).