2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one

C19H18N5O2+ — CID 171630725

IUPAC2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one
SMILESCn1nc(C(=O)[N+]2=CCN(c3ccccc3)CC2)c2cnccc2c1=O
InChIInChI=1S/C19H18N5O2/c1-22-18(25)15-7-8-20-13-16(15)17(21-22)19(26)24-11-9-23(10-12-24)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/q+1
InChIKeyCBMQEONOJMHFOH-UHFFFAOYSA-N
MW348.39 g/mol
LogP1.07
Rot. Bonds2

About 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one

2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one (PubChem CID 171630725) has the molecular formula C19H18N5O2+ and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one
PubChem CID171630725
Molecular FormulaC19H18N5O2+
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one
SMILESCn1nc(C(=O)[N+]2=CCN(c3ccccc3)CC2)c2cnccc2c1=O
InChIInChI=1S/C19H18N5O2/c1-22-18(25)15-7-8-20-13-16(15)17(21-22)19(26)24-11-9-23(10-12-24)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/q+1
InChIKeyCBMQEONOJMHFOH-UHFFFAOYSA-N
XLogP1.07
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid
CID 171631011
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
2-ethyl-1-oxopyrido[3,4-d]pyridazine-4-carboxylic acid;hydrochloride
CID 171630588
3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 7966351
2-methyl-4-[4-(5-methyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171630479
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
5-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171631002
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
6-chloro-2-methyl-4-[4-(4-propyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one;ethane
CID 171630546
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one (CID 171630725) is 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one is Cn1nc(C(=O)[N+]2=CCN(c3ccccc3)CC2)c2cnccc2c1=O.
What is the InChIKey of 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one?
The InChIKey is CBMQEONOJMHFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N5O2/c1-22-18(25)15-7-8-20-13-16(15)17(21-22)19(26)24-11-9-23(10-12-24)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3/q+1.
What are the key properties of 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one?
2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one has a molecular weight of 348.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenyl-3,5-dihydro-2H-pyrazin-1-ium-1-carbonyl)pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 171630725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).