5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile

C15H22N4O2 — CID 80502013

IUPAC5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2(O)CCOCC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O2/c1-3-11-12(9-16)14(19-18-13(11)4-2)17-10-15(20)5-7-21-8-6-15/h20H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyUVABDGUPCILTCM-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.43
Rot. Bonds5

About 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 80502013) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID80502013
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2(O)CCOCC2)c(C#N)c1CC
InChIInChI=1S/C15H22N4O2/c1-3-11-12(9-16)14(19-18-13(11)4-2)17-10-15(20)5-7-21-8-6-15/h20H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyUVABDGUPCILTCM-UHFFFAOYSA-N
XLogP1.43
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
CID 114749570
3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 105417878
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]oxolane-3-carboxylic acid
CID 80508108
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 104858530
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile (CID 80502013) is 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCC2(O)CCOCC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is UVABDGUPCILTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-11-12(9-16)14(19-18-13(11)4-2)17-10-15(20)5-7-21-8-6-15/h20H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80502013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).