5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile

C13H14N4O — CID 65340702

IUPAC5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(C2=NN=C(N)C(C)C2)cc1C#N
InChIInChI=1S/C13H14N4O/c1-8-5-11(16-17-13(8)15)9-3-4-12(18-2)10(6-9)7-14/h3-4,6,8H,5H2,1-2H3,(H2,15,17)
InChIKeyWAPNETQPGNLPRM-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.67
Rot. Bonds2

About 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile

5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile (PubChem CID 65340702) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile
PubChem CID65340702
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(C2=NN=C(N)C(C)C2)cc1C#N
InChIInChI=1S/C13H14N4O/c1-8-5-11(16-17-13(8)15)9-3-4-12(18-2)10(6-9)7-14/h3-4,6,8H,5H2,1-2H3,(H2,15,17)
InChIKeyWAPNETQPGNLPRM-UHFFFAOYSA-N
XLogP1.67
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile 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

6-(4-methoxyphenyl)-4-methyl-4,5-dihydropyridazin-3-amine
CID 64692181
2-methoxy-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)benzonitrile
CID 170904857
5-(5-amino-2-cyclopropyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336405
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
5-(5-amino-1-cyclopropyl-2-methylimidazol-4-yl)-2-methoxybenzonitrile
CID 65336593
5-(5-amino-2-methyl-1,3-thiazol-4-yl)-2-methoxybenzonitrile
CID 65336309
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
5-(aminomethyl)-2-methoxybenzonitrile;hydrochloride
CID 71756830
5-(5-amino-2-ethyl-1-methylimidazol-4-yl)-2-methoxybenzonitrile
CID 65336015
5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
CID 65336599
5-[4-(2-cyclohexylethyl)phenyl]-2-methoxybenzonitrile
CID 173349929
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile?
The IUPAC name of 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile (CID 65340702) is 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile is COc1ccc(C2=NN=C(N)C(C)C2)cc1C#N.
What is the InChIKey of 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile?
The InChIKey is WAPNETQPGNLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-5-11(16-17-13(8)15)9-3-4-12(18-2)10(6-9)7-14/h3-4,6,8H,5H2,1-2H3,(H2,15,17).
What are the key properties of 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile?
5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile has a molecular weight of 242.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile is sourced from PubChem (CID 65340702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).