1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one

C18H17N7O — CID 10617639

IUPAC1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCC(c1ccccc1)n1nnc2c(NNc3ccccc3)n[nH]c(=O)c21
InChIInChI=1S/C18H17N7O/c1-12(13-8-4-2-5-9-13)25-16-15(20-24-25)17(22-23-18(16)26)21-19-14-10-6-3-7-11-14/h2-12,19H,1H3,(H,21,22)(H,23,26)
InChIKeyLPNOAQVSUUOAJX-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.56
Rot. Bonds5

About 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one

1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 10617639) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID10617639
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCC(c1ccccc1)n1nnc2c(NNc3ccccc3)n[nH]c(=O)c21
InChIInChI=1S/C18H17N7O/c1-12(13-8-4-2-5-9-13)25-16-15(20-24-25)17(22-23-18(16)26)21-19-14-10-6-3-7-11-14/h2-12,19H,1H3,(H,21,22)(H,23,26)
InChIKeyLPNOAQVSUUOAJX-UHFFFAOYSA-N
XLogP2.56
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10618512
1-benzyl-4-[[(1S)-1-phenylethyl]amino]-6H-triazolo[4,5-d]pyridazin-7-one
CID 10382985
1-[(2-fluorophenyl)methyl]-4-[[(2R)-1-phenylpropan-2-yl]amino]-6H-triazolo[4,5-d]pyridazin-7-one
CID 101040810
7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one
CID 136880499
4-[[(2R)-1-phenylpropan-2-yl]amino]-1-(thiophen-2-ylmethyl)-6H-triazolo[4,5-d]pyridazin-7-one
CID 101040808
2-(1-phenylethyl)-4H-1,2,4-triazol-3-one
CID 137099420
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
1-[5-chloro-3-[(1R)-1-phenylethyl]triazol-4-yl]ethanone
CID 167321455
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
5-phenyl-3-(1-phenylethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 10543429
5-tert-butyl-1-(1-phenylethyl)triazole-4-carbonitrile
CID 82206183

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one (CID 10617639) is 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one is CC(c1ccccc1)n1nnc2c(NNc3ccccc3)n[nH]c(=O)c21.
What is the InChIKey of 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is LPNOAQVSUUOAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-12(13-8-4-2-5-9-13)25-16-15(20-24-25)17(22-23-18(16)26)21-19-14-10-6-3-7-11-14/h2-12,19H,1H3,(H,21,22)(H,23,26).
What are the key properties of 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one?
1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 347.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 10617639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).