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

C14H19N3O — CID 134905702

IUPAC1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCCCCN1NC(c2ccccc2)=NC(C)C1=O
InChIInChI=1S/C14H19N3O/c1-3-4-10-17-14(18)11(2)15-13(16-17)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyFQQSHRPWTLDMOJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.97
Rot. Bonds4

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

1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one (PubChem CID 134905702) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one
PubChem CID134905702
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCCCCN1NC(c2ccccc2)=NC(C)C1=O
InChIInChI=1S/C14H19N3O/c1-3-4-10-17-14(18)11(2)15-13(16-17)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyFQQSHRPWTLDMOJ-UHFFFAOYSA-N
XLogP1.97
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-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

1-butyldiaziridin-3-one
CID 67624935
1-butyl-6-phenylpyrimidin-2-one
CID 102529038
5-(butylaminomethyl)-2-phenyl-3a,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 90750270
4-(1-butyl-2,5-dioxo-4-phenylpyrrol-3-yl)benzoic acid
CID 58822027
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
5-butyl-1,3-diphenylthieno[3,4-c]pyrrole-4,6-dione
CID 102432668
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
1-butyl-8-phenyl-3,7-dihydropurine-2,6-dione
CID 11781054
1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one (CID 134905702) is 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one is CCCCN1NC(c2ccccc2)=NC(C)C1=O.
What is the InChIKey of 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The InChIKey is FQQSHRPWTLDMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-4-10-17-14(18)11(2)15-13(16-17)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,15,16).
What are the key properties of 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one has a molecular weight of 245.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-3-phenyl-2,5-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 134905702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).