5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile

C12H16N4O — CID 80516247

IUPAC5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OCC2CCCN2)c(C#N)c1C
InChIInChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)6-13)17-7-10-4-3-5-14-10/h10,14H,3-5,7H2,1-2H3
InChIKeyZFQMUYFMKYKBTD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.10
Rot. Bonds3

About 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile

5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile (PubChem CID 80516247) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
PubChem CID80516247
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OCC2CCCN2)c(C#N)c1C
InChIInChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)6-13)17-7-10-4-3-5-14-10/h10,14H,3-5,7H2,1-2H3
InChIKeyZFQMUYFMKYKBTD-UHFFFAOYSA-N
XLogP1.10
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516526
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280
6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
CID 62348215
3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 106640993
5,6-dimethyl-3-(2-methylcyclohexyl)oxypyridazine-4-carbonitrile
CID 61098040
5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
CID 106642345
3,5-dimethyl-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 65470583
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
5,6-diethyl-3-(2-piperidin-2-ylethoxy)pyridazine-4-carbonitrile
CID 80515482
3-[2-(dimethylamino)ethoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 61098653
3-[(4-aminophenyl)methoxy]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514507
5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 78990540

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile (CID 80516247) is 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile is Cc1nnc(OCC2CCCN2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
The InChIKey is ZFQMUYFMKYKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-9(2)15-16-12(11(8)6-13)17-7-10-4-3-5-14-10/h10,14H,3-5,7H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80516247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).