3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C17H26N4 — CID 80508506

IUPAC3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCCC(C)C2C)c(C#N)c1CC
InChIInChI=1S/C17H26N4/c1-5-13-14(10-18)17(21-20-15(13)6-2)19-16-9-7-8-11(3)12(16)4/h11-12,16H,5-9H2,1-4H3,(H,19,21)
InChIKeyUNWXDLXOZNWWCR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.71
Rot. Bonds4

About 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80508506) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80508506
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCCC(C)C2C)c(C#N)c1CC
InChIInChI=1S/C17H26N4/c1-5-13-14(10-18)17(21-20-15(13)6-2)19-16-9-7-8-11(3)12(16)4/h11-12,16H,5-9H2,1-4H3,(H,19,21)
InChIKeyUNWXDLXOZNWWCR-UHFFFAOYSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 80508506) is 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NC2CCCC(C)C2C)c(C#N)c1CC.
What is the InChIKey of 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is UNWXDLXOZNWWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-13-14(10-18)17(21-20-15(13)6-2)19-16-9-7-8-11(3)12(16)4/h11-12,16H,5-9H2,1-4H3,(H,19,21).
What are the key properties of 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80508506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).