4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one

C7H13N3O — CID 13290903

IUPAC4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCC(C)C1=NNCN(C)C1=O
InChIInChI=1S/C7H13N3O/c1-5(2)6-7(11)10(3)4-8-9-6/h5,8H,4H2,1-3H3
InChIKeyNIRMKHYDDVKEOD-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.02
Rot. Bonds1

About 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one

4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one (PubChem CID 13290903) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one
PubChem CID13290903
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCC(C)C1=NNCN(C)C1=O
InChIInChI=1S/C7H13N3O/c1-5(2)6-7(11)10(3)4-8-9-6/h5,8H,4H2,1-3H3
InChIKeyNIRMKHYDDVKEOD-UHFFFAOYSA-N
XLogP0.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-isopropyl-3-mercapto-4-methyl-1,2,4-triazin-5(4H)-one
CID 13124849
4,6-Dimethyl-2,3-dihydro-1,2,4-triazin-5-one
CID 13290902
6-Tert-butyl-4-methyl-2,3-dihydro-1,2,4-triazin-5-one
CID 21790115

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one?
The IUPAC name of 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one (CID 13290903) is 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one.
What is the SMILES notation for 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one?
The canonical SMILES for 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one is CC(C)C1=NNCN(C)C1=O.
What is the InChIKey of 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one?
The InChIKey is NIRMKHYDDVKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)6-7(11)10(3)4-8-9-6/h5,8H,4H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one?
4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-2,3-dihydro-1,2,4-triazin-5-one is sourced from PubChem (CID 13290903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).