3-methyl-6-phenyl-4H-1,2,4-triazin-5-one

C10H9N3O — CID 135413636

IUPAC3-methyl-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
InChIKeyOUSYWCQYMPDAEO-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds1

About 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one

3-methyl-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135413636) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135413636
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-methyl-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14)
InChIKeyOUSYWCQYMPDAEO-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one (CID 135413636) is 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one is Cc1nnc(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is OUSYWCQYMPDAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-11-10(14)9(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,14).
What are the key properties of 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one?
3-methyl-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 187.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135413636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).