3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile

C17H18N4O — CID 15262766

IUPAC3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
SMILES[H]/N=c1\c(C#N)c2c(nn1-c1cccc(C)c1)COC(C)(C)C2
InChIInChI=1S/C17H18N4O/c1-11-5-4-6-12(7-11)21-16(19)14(9-18)13-8-17(2,3)22-10-15(13)20-21/h4-7,19H,8,10H2,1-3H3/b19-16+
InChIKeyRKMUPCCVJRUFCW-KNTRCKAVSA-N
MW294.36 g/mol
LogP2.38
Rot. Bonds1

About 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile

3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile (PubChem CID 15262766) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
PubChem CID15262766
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
SMILES[H]/N=c1\c(C#N)c2c(nn1-c1cccc(C)c1)COC(C)(C)C2
InChIInChI=1S/C17H18N4O/c1-11-5-4-6-12(7-11)21-16(19)14(9-18)13-8-17(2,3)22-10-15(13)20-21/h4-7,19H,8,10H2,1-3H3/b19-16+
InChIKeyRKMUPCCVJRUFCW-KNTRCKAVSA-N
XLogP2.38
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichlorophenyl)-3-imino-6,6-dimethyl-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
CID 91471085
2-(4-ethylphenyl)-3-imino-6,6-dimethyl-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
CID 91243552
2-(diethylamino)ethyl 4-(4-cyano-3-imino-6,6-dimethyl-5,8-dihydropyrano[3,4-c]pyridazin-2-yl)benzoate
CID 91243459
3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile
CID 91228874
5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 83862460
6,8-diamino-3-imino-2-(3-methoxyphenyl)pyrido[3,2-c]pyridazine-4,7-dicarbonitrile
CID 134914275
6-amino-3,3-dimethyl-7-phenyl-8-sulfanylidene-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 911733
5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795574
2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105484408
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
3-chloro-2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66020951

Frequently Asked Questions

What is the IUPAC name of 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile?
The IUPAC name of 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile (CID 15262766) is 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile?
The canonical SMILES for 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile is [H]/N=c1\c(C#N)c2c(nn1-c1cccc(C)c1)COC(C)(C)C2.
What is the InChIKey of 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile?
The InChIKey is RKMUPCCVJRUFCW-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-5-4-6-12(7-11)21-16(19)14(9-18)13-8-17(2,3)22-10-15(13)20-21/h4-7,19H,8,10H2,1-3H3/b19-16+.
What are the key properties of 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile?
3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile is sourced from PubChem (CID 15262766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).