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

C10H10N4 — CID 61096643

IUPAC5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
SMILESC#CCNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C10H10N4/c1-4-5-12-10-9(6-11)7(2)8(3)13-14-10/h1H,5H2,2-3H3,(H,12,14)
InChIKeyNAAKFJXFEIQYJX-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.01
Rot. Bonds2

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

5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile (PubChem CID 61096643) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
PubChem CID61096643
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
SMILESC#CCNc1nnc(C)c(C)c1C#N
InChIInChI=1S/C10H10N4/c1-4-5-12-10-9(6-11)7(2)8(3)13-14-10/h1H,5H2,2-3H3,(H,12,14)
InChIKeyNAAKFJXFEIQYJX-UHFFFAOYSA-N
XLogP1.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile (CID 61096643) is 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile is C#CCNc1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
The InChIKey is NAAKFJXFEIQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-4-5-12-10-9(6-11)7(2)8(3)13-14-10/h1H,5H2,2-3H3,(H,12,14).
What are the key properties of 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile has a molecular weight of 186.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 61096643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).