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

C20H20N6O — CID 10618512

IUPAC1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCC(Nc1n[nH]c(=O)c2c1nnn2C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N6O/c1-13(15-9-5-3-6-10-15)21-19-17-18(20(27)24-23-19)26(25-22-17)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23)(H,24,27)
InChIKeyYBPZKFIKTKTWAB-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.30
Rot. Bonds5

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

1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one (PubChem CID 10618512) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
PubChem CID10618512
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
SMILESCC(Nc1n[nH]c(=O)c2c1nnn2C(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N6O/c1-13(15-9-5-3-6-10-15)21-19-17-18(20(27)24-23-19)26(25-22-17)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23)(H,24,27)
InChIKeyYBPZKFIKTKTWAB-UHFFFAOYSA-N
XLogP3.30
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10617639
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
3-[[(1S)-1-phenylethyl]amino]-1H-pyridazin-6-one
CID 121205925
7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one
CID 136880499
4-chloro-3-[(2-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]triazolo[4,5-d]pyridazin-7-amine
CID 101040818
6-methyl-3-[[(1R)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135800050
4-chloro-3-[(2-fluorophenyl)methyl]-N-(1-phenylethyl)triazolo[4,5-d]pyridazin-7-amine
CID 10691342
4-hydrazinyl-1-(4-methylphenyl)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10611150
N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 35182093
N-[(1R)-1-phenylethyl]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
CID 35182091
2-(1-phenylethyl)-4H-1,2,4-triazol-3-one
CID 137099420

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one (CID 10618512) is 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one is CC(Nc1n[nH]c(=O)c2c1nnn2C(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
The InChIKey is YBPZKFIKTKTWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(15-9-5-3-6-10-15)21-19-17-18(20(27)24-23-19)26(25-22-17)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23)(H,24,27).
What are the key properties of 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one?
1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one has a molecular weight of 360.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 10618512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).