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

C15H22N4O — CID 80510365

IUPAC3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(CCOC)C2CC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-12-13(10-16)15(18-17-14(12)5-2)19(8-9-20-3)11-6-7-11/h11H,4-9H2,1-3H3
InChIKeyISGYTCFRRMQAJC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.09
Rot. Bonds7

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

3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80510365) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80510365
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(CCOC)C2CC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-12-13(10-16)15(18-17-14(12)5-2)19(8-9-20-3)11-6-7-11/h11H,4-9H2,1-3H3
InChIKeyISGYTCFRRMQAJC-UHFFFAOYSA-N
XLogP2.09
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
CID 102740090
5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515022
3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504557
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]benzonitrile
CID 114880735
5,6-diethyl-3-(3-methoxycyclohexyl)oxypyridazine-4-carbonitrile
CID 80506117
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829
5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile
CID 112659545
5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile
CID 115693664
3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510443
5,6-diethyl-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine-4-carbonitrile
CID 80505942
5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile
CID 80504750

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 80510365) is 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N(CCOC)C2CC2)c(C#N)c1CC.
What is the InChIKey of 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is ISGYTCFRRMQAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-12-13(10-16)15(18-17-14(12)5-2)19(8-9-20-3)11-6-7-11/h11H,4-9H2,1-3H3.
What are the key properties of 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methoxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80510365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).