3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile

C16H18N4O — CID 80505836

IUPAC3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
SMILESCOc1ccccc1CC(C)N(C)c1nnccc1C#N
InChIInChI=1S/C16H18N4O/c1-12(10-13-6-4-5-7-15(13)21-3)20(2)16-14(11-17)8-9-18-19-16/h4-9,12H,10H2,1-3H3
InChIKeyHDAMOCWTPILGHD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds5

About 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile

3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile (PubChem CID 80505836) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
PubChem CID80505836
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
SMILESCOc1ccccc1CC(C)N(C)c1nnccc1C#N
InChIInChI=1S/C16H18N4O/c1-12(10-13-6-4-5-7-15(13)21-3)20(2)16-14(11-17)8-9-18-19-16/h4-9,12H,10H2,1-3H3
InChIKeyHDAMOCWTPILGHD-UHFFFAOYSA-N
XLogP2.42
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
CID 65485931
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
CID 80829894
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanenitrile
CID 65487029
4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
CID 105067487
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80829895
[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-4-pyridinyl]methanol
CID 65487641
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
CID 80510429
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile (CID 80505836) is 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile is COc1ccccc1CC(C)N(C)c1nnccc1C#N.
What is the InChIKey of 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile?
The InChIKey is HDAMOCWTPILGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(10-13-6-4-5-7-15(13)21-3)20(2)16-14(11-17)8-9-18-19-16/h4-9,12H,10H2,1-3H3.
What are the key properties of 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile?
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80505836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).