5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile

C12H14N4 — CID 80509398

IUPAC5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
SMILESC#CCNc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C12H14N4/c1-4-7-14-12-10(8-13)9(5-2)11(6-3)15-16-12/h1H,5-7H2,2-3H3,(H,14,16)
InChIKeyUURHWWDANISSGY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.52
Rot. Bonds4

About 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile (PubChem CID 80509398) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
PubChem CID80509398
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
SMILESC#CCNc1nnc(CC)c(CC)c1C#N
InChIInChI=1S/C12H14N4/c1-4-7-14-12-10(8-13)9(5-2)11(6-3)15-16-12/h1H,5-7H2,2-3H3,(H,14,16)
InChIKeyUURHWWDANISSGY-UHFFFAOYSA-N
XLogP1.52
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(2-pyrrolidin-1-ylethylamino)pyridazine-4-carbonitrile
CID 80509789
tert-butyl N-[2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethyl]carbamate
CID 103756562
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
3-[[1-(dimethylamino)cyclobutyl]methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 105417878
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5,6-diethyl-3-(5-methylhexylamino)pyridazine-4-carbonitrile
CID 115325591
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile (CID 80509398) is 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile is C#CCNc1nnc(CC)c(CC)c1C#N.
What is the InChIKey of 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The InChIKey is UURHWWDANISSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-4-7-14-12-10(8-13)9(5-2)11(6-3)15-16-12/h1H,5-7H2,2-3H3,(H,14,16).
What are the key properties of 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).