3-(propan-2-ylamino)pyridazine-4-carbonitrile

C8H10N4 — CID 14042730

IUPAC3-(propan-2-ylamino)pyridazine-4-carbonitrile
SMILESCC(C)Nc1nnccc1C#N
InChIInChI=1S/C8H10N4/c1-6(2)11-8-7(5-9)3-4-10-12-8/h3-4,6H,1-2H3,(H,11,12)
InChIKeyWNNHYKHXFOAZRL-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.17
Rot. Bonds2

About 3-(propan-2-ylamino)pyridazine-4-carbonitrile

3-(propan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 14042730) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-(propan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(propan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID14042730
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name3-(propan-2-ylamino)pyridazine-4-carbonitrile
SMILESCC(C)Nc1nnccc1C#N
InChIInChI=1S/C8H10N4/c1-6(2)11-8-7(5-9)3-4-10-12-8/h3-4,6H,1-2H3,(H,11,12)
InChIKeyWNNHYKHXFOAZRL-UHFFFAOYSA-N
XLogP1.17
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(propan-2-ylamino)pyridazine-4-carbonitrile (CID 14042730) is 3-(propan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(propan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(propan-2-ylamino)pyridazine-4-carbonitrile is CC(C)Nc1nnccc1C#N.
What is the InChIKey of 3-(propan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is WNNHYKHXFOAZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-6(2)11-8-7(5-9)3-4-10-12-8/h3-4,6H,1-2H3,(H,11,12).
What are the key properties of 3-(propan-2-ylamino)pyridazine-4-carbonitrile?
3-(propan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 14042730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).