6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile

C15H16N4O — CID 133421291

IUPAC6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
SMILESCCN(Cc1ccc(OC)cc1)c1ccc(C#N)nn1
InChIInChI=1S/C15H16N4O/c1-3-19(15-9-6-13(10-16)17-18-15)11-12-4-7-14(20-2)8-5-12/h4-9H,3,11H2,1-2H3
InChIKeyMMVNEYKZJUPMFQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.38
Rot. Bonds5

About 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile

6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile (PubChem CID 133421291) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
PubChem CID133421291
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
SMILESCCN(Cc1ccc(OC)cc1)c1ccc(C#N)nn1
InChIInChI=1S/C15H16N4O/c1-3-19(15-9-6-13(10-16)17-18-15)11-12-4-7-14(20-2)8-5-12/h4-9H,3,11H2,1-2H3
InChIKeyMMVNEYKZJUPMFQ-UHFFFAOYSA-N
XLogP2.38
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[ethyl(pyridin-2-ylmethyl)amino]pyridazine-3-carbonitrile
CID 133419199
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile
CID 133433734
6-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
CID 22622539
6-[(5-chloro-2-cyclopentyloxyphenyl)methyl-ethylamino]pyridazine-3-carbonitrile
CID 22622508
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
CID 70959519
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile (CID 133421291) is 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile is CCN(Cc1ccc(OC)cc1)c1ccc(C#N)nn1.
What is the InChIKey of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile?
The InChIKey is MMVNEYKZJUPMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19(15-9-6-13(10-16)17-18-15)11-12-4-7-14(20-2)8-5-12/h4-9H,3,11H2,1-2H3.
What are the key properties of 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile?
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133421291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).