5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile

C12H17N5 — CID 80515153

IUPAC5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(C)C2CCNC2)c(C#N)c1C
InChIInChI=1S/C12H17N5/c1-8-9(2)15-16-12(11(8)6-13)17(3)10-4-5-14-7-10/h10,14H,4-5,7H2,1-3H3
InChIKeyJQGYWLRPEBGIBW-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.76
Rot. Bonds2

About 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile (PubChem CID 80515153) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
PubChem CID80515153
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile
SMILESCc1nnc(N(C)C2CCNC2)c(C#N)c1C
InChIInChI=1S/C12H17N5/c1-8-9(2)15-16-12(11(8)6-13)17(3)10-4-5-14-7-10/h10,14H,4-5,7H2,1-3H3
InChIKeyJQGYWLRPEBGIBW-UHFFFAOYSA-N
XLogP0.76
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[azetidin-3-yl(propyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515273
N,5,6-trimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83833515
5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515022
3-[cyclopropyl(piperidin-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 106640993
5,6-dimethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 78990540
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyridine-4-carbonitrile
CID 71640983
3-[methyl(pyrrolidin-3-yl)amino]benzonitrile;dihydrochloride
CID 122156861
N,4,5-trimethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 65168398
5-bromo-N,2-dimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83844947
N,5,6-trimethyl-N-pyrrolidin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63301843
3-[[3-(dimethylamino)phenyl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133385902

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile (CID 80515153) is 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile is Cc1nnc(N(C)C2CCNC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is JQGYWLRPEBGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-9(2)15-16-12(11(8)6-13)17(3)10-4-5-14-7-10/h10,14H,4-5,7H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(pyrrolidin-3-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).