7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one

C18H13N5O — CID 135837392

IUPAC7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
SMILESNc1nc2nnc(-c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H13N5O/c19-18-20-16-14(17(24)21-18)13(11-7-3-1-4-8-11)15(22-23-16)12-9-5-2-6-10-12/h1-10H,(H3,19,20,21,23,24)
InChIKeyKZYNLFNNKDTMEU-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.63
Rot. Bonds2

About 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one

7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one (PubChem CID 135837392) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one.

Molecular Properties

Compound Name7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
PubChem CID135837392
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
SMILESNc1nc2nnc(-c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C18H13N5O/c19-18-20-16-14(17(24)21-18)13(11-7-3-1-4-8-11)15(22-23-16)12-9-5-2-6-10-12/h1-10H,(H3,19,20,21,23,24)
InChIKeyKZYNLFNNKDTMEU-UHFFFAOYSA-N
XLogP2.63
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
4,5-bis(4-phenylphenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538872
6-amino-2-(3,4-dimethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11,13,15-heptaene-4,17-dione
CID 135648642
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
11,13-dimethyl-5,6-diphenyl-3,4,9,11,13-pentazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6-tetraene-8,12,14-trione
CID 46872791
2-methyl-4,5-diphenyl-1H-pyrimidin-6-one
CID 162219901
5-fluoro-4-phenyl-1H-imidazol-2-amine
CID 141443454
2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659171
2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135949024
2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275792
5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 85068677
2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
CID 162327470

Frequently Asked Questions

What is the IUPAC name of 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one?
The IUPAC name of 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one (CID 135837392) is 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one.
What is the SMILES notation for 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one?
The canonical SMILES for 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one is Nc1nc2nnc(-c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one?
The InChIKey is KZYNLFNNKDTMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-18-20-16-14(17(24)21-18)13(11-7-3-1-4-8-11)15(22-23-16)12-9-5-2-6-10-12/h1-10H,(H3,19,20,21,23,24).
What are the key properties of 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one?
7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one has a molecular weight of 315.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one is sourced from PubChem (CID 135837392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).