4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

C7H7N3O — CID 12585362

IUPAC4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1n[nH]c(=O)c2cccn12
InChIInChI=1S/C7H7N3O/c1-5-8-9-7(11)6-3-2-4-10(5)6/h2-4H,1H3,(H,9,11)
InChIKeyBQFOJSPOYXYXEP-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.33
Rot. Bonds

About 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one

4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one (PubChem CID 12585362) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one.

Molecular Properties

Compound Name4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
PubChem CID12585362
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
SMILESCc1n[nH]c(=O)c2cccn12
InChIInChI=1S/C7H7N3O/c1-5-8-9-7(11)6-3-2-4-10(5)6/h2-4H,1H3,(H,9,11)
InChIKeyBQFOJSPOYXYXEP-UHFFFAOYSA-N
XLogP0.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The IUPAC name of 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one (CID 12585362) is 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one.
What is the SMILES notation for 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The canonical SMILES for 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one is Cc1n[nH]c(=O)c2cccn12.
What is the InChIKey of 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
The InChIKey is BQFOJSPOYXYXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5-8-9-7(11)6-3-2-4-10(5)6/h2-4H,1H3,(H,9,11).
What are the key properties of 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one?
4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one has a molecular weight of 149.15 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one is sourced from PubChem (CID 12585362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).