3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one

C7H7N3O — CID 11804925

IUPAC3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCn1ncc2cccn2c1=O
InChIInChI=1S/C7H7N3O/c1-9-7(11)10-4-2-3-6(10)5-8-9/h2-5H,1H3
InChIKeyYPIXFRMCJJZKOC-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.03
Rot. Bonds

About 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one

3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one (PubChem CID 11804925) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one
PubChem CID11804925
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one
SMILESCn1ncc2cccn2c1=O
InChIInChI=1S/C7H7N3O/c1-9-7(11)10-4-2-3-6(10)5-8-9/h2-5H,1H3
InChIKeyYPIXFRMCJJZKOC-UHFFFAOYSA-N
XLogP0.03
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The IUPAC name of 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one (CID 11804925) is 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one.
What is the SMILES notation for 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The canonical SMILES for 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one is Cn1ncc2cccn2c1=O.
What is the InChIKey of 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one?
The InChIKey is YPIXFRMCJJZKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-9-7(11)10-4-2-3-6(10)5-8-9/h2-5H,1H3.
What are the key properties of 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one?
3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one has a molecular weight of 149.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolo[1,2-d][1,2,4]triazin-4-one is sourced from PubChem (CID 11804925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).