5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile

C12H16N4 — CID 115631606

IUPAC5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
SMILESC=CCC(C)Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C12H16N4/c1-5-6-8(2)14-12-11(7-13)9(3)10(4)15-16-12/h5,8H,1,6H2,2-4H3,(H,14,16)
InChIKeyIURLOIOJWDHQNU-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds4

About 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 115631606) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
PubChem CID115631606
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile
SMILESC=CCC(C)Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C12H16N4/c1-5-6-8(2)14-12-11(7-13)9(3)10(4)15-16-12/h5,8H,1,6H2,2-4H3,(H,14,16)
InChIKeyIURLOIOJWDHQNU-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
3-[[(2S)-4-(dimethylamino)butan-2-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 94227150
5,6-dimethyl-3-(1-phenylpropan-2-ylamino)pyridazine-4-carbonitrile
CID 63010424
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
3-[(4-hydroxy-3-methylbutan-2-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 115644030
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
5,6-dimethyl-3-[1-(4-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 60968436
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5,6-dimethyl-3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 63613595
5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917
5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile
CID 115586277

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile (CID 115631606) is 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile is C=CCC(C)Nc1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is IURLOIOJWDHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-5-6-8(2)14-12-11(7-13)9(3)10(4)15-16-12/h5,8H,1,6H2,2-4H3,(H,14,16).
What are the key properties of 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(pent-4-en-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 115631606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).