5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile

C15H19N5S — CID 103757119

IUPAC5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1cnc(CNc2nnc(CC)c(CC)c2C#N)s1
InChIInChI=1S/C15H19N5S/c1-4-10-8-17-14(21-10)9-18-15-12(7-16)11(5-2)13(6-3)19-20-15/h8H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyNJWZUKSQGGZFQA-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.10
Rot. Bonds6

About 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile (PubChem CID 103757119) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
PubChem CID103757119
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1cnc(CNc2nnc(CC)c(CC)c2C#N)s1
InChIInChI=1S/C15H19N5S/c1-4-10-8-17-14(21-10)9-18-15-12(7-16)11(5-2)13(6-3)19-20-15/h8H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyNJWZUKSQGGZFQA-UHFFFAOYSA-N
XLogP3.10
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509551
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-methylpyrimidine-5-carbonitrile
CID 112755210
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
CID 133439815
5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
CID 114694557
2-bromo-6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 114127723
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
5,6-diethyl-3-[(4-hydroxyoxan-4-yl)methylamino]pyridazine-4-carbonitrile
CID 80502013
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile (CID 103757119) is 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile is CCc1cnc(CNc2nnc(CC)c(CC)c2C#N)s1.
What is the InChIKey of 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is NJWZUKSQGGZFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-4-10-8-17-14(21-10)9-18-15-12(7-16)11(5-2)13(6-3)19-20-15/h8H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 301.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 103757119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).