1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one

C15H18N6O — CID 10402423

IUPAC1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCCN(CC)c1n[nH]c(=O)c2c1nnn2Cc1ccccc1
InChIInChI=1S/C15H18N6O/c1-3-20(4-2)14-12-13(15(22)18-17-14)21(19-16-12)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,22)
InChIKeyYJWKNEUMTDTIKP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.41
Rot. Bonds5

About 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one

1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 10402423) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID10402423
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCCN(CC)c1n[nH]c(=O)c2c1nnn2Cc1ccccc1
InChIInChI=1S/C15H18N6O/c1-3-20(4-2)14-12-13(15(22)18-17-14)21(19-16-12)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,22)
InChIKeyYJWKNEUMTDTIKP-UHFFFAOYSA-N
XLogP1.41
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-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

Related Compounds

1-benzyl-4-[[(1S)-1-phenylethyl]amino]-6H-triazolo[4,5-d]pyridazin-7-one
CID 10382985
1-[(2-fluorophenyl)methyl]-4-methyl-6H-triazolo[4,5-d]pyridazin-7-one
CID 23610254
1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
CID 132516535
1-[(2-fluorophenyl)methyl]-4-[[(2R)-1-phenylpropan-2-yl]amino]-6H-triazolo[4,5-d]pyridazin-7-one
CID 101040810
4-[[(2R)-1-phenylpropan-2-yl]amino]-1-(thiophen-2-ylmethyl)-6H-triazolo[4,5-d]pyridazin-7-one
CID 101040808
3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one
CID 561455
3-benzyl-6-[(4-fluorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 2813775
3,5-dibenzyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135413815
3-benzyl-5-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135818451
3-benzyl-5-(diethoxymethyl)-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135818448
4-[7-benzyl-8-[4-(N-phenylanilino)phenyl]-1,3-dihydrotriazolo[4,5-f][2,1,3]benzothiadiazol-4-yl]-N,N-diphenylaniline
CID 136509643
5-[(4-methylphenyl)methyl]-11-phenyl-3,4,5,8,9,12-hexaza-11-azoniatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraen-7-one
CID 10689672

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one (CID 10402423) is 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one is CCN(CC)c1n[nH]c(=O)c2c1nnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is YJWKNEUMTDTIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-20(4-2)14-12-13(15(22)18-17-14)21(19-16-12)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,18,22).
What are the key properties of 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 298.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(diethylamino)-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 10402423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).