6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile

C19H10N6 — CID 171984585

IUPAC6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile
SMILES[H]/N=c1\nc2c(C#N)c(-c3ccccc3)c(C#N)nn2c2ccccc12
InChIInChI=1S/C19H10N6/c20-10-14-17(12-6-2-1-3-7-12)15(11-21)24-25-16-9-5-4-8-13(16)18(22)23-19(14)25/h1-9,22H/b22-18-
InChIKeyYSBYORAFBJNZLZ-PYCFMQQDSA-N
MW322.33 g/mol
LogP2.77
Rot. Bonds1

About 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile

6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile (PubChem CID 171984585) has the molecular formula C19H10N6 and a molecular weight of 322.33 g/mol. Its IUPAC name is 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile.

Molecular Properties

Compound Name6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile
PubChem CID171984585
Molecular FormulaC19H10N6
Molecular Weight322.33 g/mol
Exact Mass322.10
IUPAC Name6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile
SMILES[H]/N=c1\nc2c(C#N)c(-c3ccccc3)c(C#N)nn2c2ccccc12
InChIInChI=1S/C19H10N6/c20-10-14-17(12-6-2-1-3-7-12)15(11-21)24-25-16-9-5-4-8-13(16)18(22)23-19(14)25/h1-9,22H/b22-18-
InChIKeyYSBYORAFBJNZLZ-PYCFMQQDSA-N
XLogP2.77
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 135496360
2,6-bis(2,19-diazapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-3,4,5-triphenylbenzonitrile
CID 176850303
2-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-6-(2,19-diazapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-3,4,5-triphenylbenzonitrile
CID 176850237
1-benzoylindazole-3-carbonitrile
CID 71818548
2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 156678674
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
CID 158193540
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
2-methyl-4,5-diphenylpyrazolo[1,5-a]quinoline
CID 50941583
4-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-2,6-bis(7,19-diazapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-19-yl)-3,5-diphenylbenzonitrile
CID 176850394

Frequently Asked Questions

What is the IUPAC name of 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile?
The IUPAC name of 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile (CID 171984585) is 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile.
What is the SMILES notation for 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile?
The canonical SMILES for 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile is [H]/N=c1\nc2c(C#N)c(-c3ccccc3)c(C#N)nn2c2ccccc12.
What is the InChIKey of 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile?
The InChIKey is YSBYORAFBJNZLZ-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H10N6/c20-10-14-17(12-6-2-1-3-7-12)15(11-21)24-25-16-9-5-4-8-13(16)18(22)23-19(14)25/h1-9,22H/b22-18-.
What are the key properties of 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile?
6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile has a molecular weight of 322.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3-phenylpyridazino[1,6-a]quinazoline-2,4-dicarbonitrile is sourced from PubChem (CID 171984585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).