3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile

C18H14N4 — CID 102492843

IUPAC3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1c(N)nnc(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H14N4/c19-12-16-15(11-13-7-3-1-4-8-13)17(21-22-18(16)20)14-9-5-2-6-10-14/h1-10H,11H2,(H2,20,22)
InChIKeyUABWBKDADFXFDO-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.19
Rot. Bonds3

About 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile

3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile (PubChem CID 102492843) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile
PubChem CID102492843
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile
SMILESN#Cc1c(N)nnc(-c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H14N4/c19-12-16-15(11-13-7-3-1-4-8-13)17(21-22-18(16)20)14-9-5-2-6-10-14/h1-10H,11H2,(H2,20,22)
InChIKeyUABWBKDADFXFDO-UHFFFAOYSA-N
XLogP3.19
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
CID 139449767
3-phenylcinnoline-4-carbonitrile
CID 10868127
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
2-amino-4-benzyl-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 7650037
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
2-benzyl-3-hydroxy-6,8-diphenylimidazo[1,2-a]pyrazine-5-carbonitrile
CID 137278722
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
5-benzyl-4,6-bis(4-fluorophenyl)pyrimidin-2-amine
CID 139449779
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile?
The IUPAC name of 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile (CID 102492843) is 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile?
The canonical SMILES for 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile is N#Cc1c(N)nnc(-c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile?
The InChIKey is UABWBKDADFXFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-12-16-15(11-13-7-3-1-4-8-13)17(21-22-18(16)20)14-9-5-2-6-10-14/h1-10H,11H2,(H2,20,22).
What are the key properties of 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile?
3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-benzyl-6-phenylpyridazine-4-carbonitrile is sourced from PubChem (CID 102492843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).