4-methyl-1,6-dihydro-1,3,5-triazepin-7-one

C5H7N3O — CID 154293252

IUPAC4-methyl-1,6-dihydro-1,3,5-triazepin-7-one
SMILESCC1=NCC(=O)NC=N1
InChIInChI=1S/C5H7N3O/c1-4-6-2-5(9)8-3-7-4/h3H,2H2,1H3,(H,6,7,8,9)
InChIKeyMDAMMDYQJGAAHO-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.44
Rot. Bonds

About 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one

4-methyl-1,6-dihydro-1,3,5-triazepin-7-one (PubChem CID 154293252) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one.

Molecular Properties

Compound Name4-methyl-1,6-dihydro-1,3,5-triazepin-7-one
PubChem CID154293252
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-methyl-1,6-dihydro-1,3,5-triazepin-7-one
SMILESCC1=NCC(=O)NC=N1
InChIInChI=1S/C5H7N3O/c1-4-6-2-5(9)8-3-7-4/h3H,2H2,1H3,(H,6,7,8,9)
InChIKeyMDAMMDYQJGAAHO-UHFFFAOYSA-N
XLogP-0.44
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1,6-dihydro-1,3,5-triazepin-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 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one?
The IUPAC name of 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one (CID 154293252) is 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one.
What is the SMILES notation for 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one?
The canonical SMILES for 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one is CC1=NCC(=O)NC=N1.
What is the InChIKey of 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one?
The InChIKey is MDAMMDYQJGAAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-4-6-2-5(9)8-3-7-4/h3H,2H2,1H3,(H,6,7,8,9).
What are the key properties of 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one?
4-methyl-1,6-dihydro-1,3,5-triazepin-7-one has a molecular weight of 125.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,6-dihydro-1,3,5-triazepin-7-one is sourced from PubChem (CID 154293252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).