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

C15H22N4O — CID 102740090

IUPAC3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(OCCN(C)C2CC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-12-13(10-16)15(18-17-14(12)5-2)20-9-8-19(3)11-6-7-11/h11H,4-9H2,1-3H3
InChIKeyUGOXFJDVRATBND-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.95
Rot. Bonds7

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

3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 102740090) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID102740090
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(OCCN(C)C2CC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O/c1-4-12-13(10-16)15(18-17-14(12)5-2)20-9-8-19(3)11-6-7-11/h11H,4-9H2,1-3H3
InChIKeyUGOXFJDVRATBND-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile (CID 102740090) is 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(OCCN(C)C2CC2)c(C#N)c1CC.
What is the InChIKey of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is UGOXFJDVRATBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-12-13(10-16)15(18-17-14(12)5-2)20-9-8-19(3)11-6-7-11/h11H,4-9H2,1-3H3.
What are the key properties of 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile?
3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(methyl)amino]ethoxy]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 102740090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).