4-methyl-1-phenyl-1,2,4-triazinan-3-one

C10H13N3O — CID 10750236

IUPAC4-methyl-1-phenyl-1,2,4-triazinan-3-one
SMILESCN1CCN(c2ccccc2)NC1=O
InChIInChI=1S/C10H13N3O/c1-12-7-8-13(11-10(12)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,14)
InChIKeyMSCIKZUIZBLUCK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.06
Rot. Bonds1

About 4-methyl-1-phenyl-1,2,4-triazinan-3-one

4-methyl-1-phenyl-1,2,4-triazinan-3-one (PubChem CID 10750236) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-methyl-1-phenyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name4-methyl-1-phenyl-1,2,4-triazinan-3-one
PubChem CID10750236
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-methyl-1-phenyl-1,2,4-triazinan-3-one
SMILESCN1CCN(c2ccccc2)NC1=O
InChIInChI=1S/C10H13N3O/c1-12-7-8-13(11-10(12)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,14)
InChIKeyMSCIKZUIZBLUCK-UHFFFAOYSA-N
XLogP1.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-1,2,4-triazinan-3-one?
The IUPAC name of 4-methyl-1-phenyl-1,2,4-triazinan-3-one (CID 10750236) is 4-methyl-1-phenyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 4-methyl-1-phenyl-1,2,4-triazinan-3-one?
The canonical SMILES for 4-methyl-1-phenyl-1,2,4-triazinan-3-one is CN1CCN(c2ccccc2)NC1=O.
What is the InChIKey of 4-methyl-1-phenyl-1,2,4-triazinan-3-one?
The InChIKey is MSCIKZUIZBLUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12-7-8-13(11-10(12)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,14).
What are the key properties of 4-methyl-1-phenyl-1,2,4-triazinan-3-one?
4-methyl-1-phenyl-1,2,4-triazinan-3-one has a molecular weight of 191.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10750236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).