3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile

C14H22N4O — CID 80510272

IUPAC3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCOCC(C)Nc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C14H22N4O/c1-5-11-12(8-15)14(18-17-13(11)6-2)16-10(4)9-19-7-3/h10H,5-7,9H2,1-4H3,(H,16,18)
InChIKeyOLSKKBFSEQONBL-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.31
Rot. Bonds7

About 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile

3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80510272) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80510272
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
SMILESCCOCC(C)Nc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C14H22N4O/c1-5-11-12(8-15)14(18-17-13(11)6-2)16-10(4)9-19-7-3/h10H,5-7,9H2,1-4H3,(H,16,18)
InChIKeyOLSKKBFSEQONBL-UHFFFAOYSA-N
XLogP2.31
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile (CID 80510272) is 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile is CCOCC(C)Nc1nnc(CC)c(CC)c1C#N.
What is the InChIKey of 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is OLSKKBFSEQONBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-11-12(8-15)14(18-17-13(11)6-2)16-10(4)9-19-7-3/h10H,5-7,9H2,1-4H3,(H,16,18).
What are the key properties of 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile?
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80510272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).