3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C17H20N4O2 — CID 133275077

IUPAC3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccc(OC)c(CN(C)c2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C17H20N4O2/c1-11-12(2)19-20-17(15(11)9-18)21(3)10-13-8-14(22-4)6-7-16(13)23-5/h6-8H,10H2,1-5H3
InChIKeyUIUNKTALLYSVHC-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.62
Rot. Bonds5

About 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 133275077) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID133275077
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCOc1ccc(OC)c(CN(C)c2nnc(C)c(C)c2C#N)c1
InChIInChI=1S/C17H20N4O2/c1-11-12(2)19-20-17(15(11)9-18)21(3)10-13-8-14(22-4)6-7-16(13)23-5/h6-8H,10H2,1-5H3
InChIKeyUIUNKTALLYSVHC-UHFFFAOYSA-N
XLogP2.62
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535776
N-[(2,5-dimethoxyphenyl)methyl]-N,3,6-trimethylpyrazin-2-amine
CID 133469077
5,6-dimethyl-3-[methyl(pyrazin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 133307673
2-chloro-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile
CID 10733191
2-amino-5-[(2,5-dimethoxyphenyl)methyl]-4-methylpyridine-3-carbonitrile
CID 11818416
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
2-amino-5-[2-(2,5-dimethoxyphenyl)ethyl]-4-methylthiophene-3-carbonitrile
CID 14964743
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61419921
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
3-[(3-methoxyphenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535514

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 133275077) is 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile is COc1ccc(OC)c(CN(C)c2nnc(C)c(C)c2C#N)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is UIUNKTALLYSVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-12(2)19-20-17(15(11)9-18)21(3)10-13-8-14(22-4)6-7-16(13)23-5/h6-8H,10H2,1-5H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133275077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).