5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile

C13H15N5 — CID 80514429

IUPAC5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(Nn2cccc2)c(C#N)c1CC
InChIInChI=1S/C13H15N5/c1-3-10-11(9-14)13(16-15-12(10)4-2)17-18-7-5-6-8-18/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyWEFCLXVGIHFWKJ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.15
Rot. Bonds4

About 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile (PubChem CID 80514429) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
PubChem CID80514429
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(Nn2cccc2)c(C#N)c1CC
InChIInChI=1S/C13H15N5/c1-3-10-11(9-14)13(16-15-12(10)4-2)17-18-7-5-6-8-18/h5-8H,3-4H2,1-2H3,(H,16,17)
InChIKeyWEFCLXVGIHFWKJ-UHFFFAOYSA-N
XLogP2.15
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-[(1-ethylpyrazol-4-yl)amino]pyridazine-4-carbonitrile
CID 80509479
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
CID 133361072
5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 80504752
3-(2-bromo-3-chloroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 103479532
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509551

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile (CID 80514429) is 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile is CCc1nnc(Nn2cccc2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile?
The InChIKey is WEFCLXVGIHFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-3-10-11(9-14)13(16-15-12(10)4-2)17-18-7-5-6-8-18/h5-8H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80514429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).