6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile

C8H11N3 — CID 170742464

IUPAC6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile
SMILESCC(C)C1C=C(C#N)C=NN1
InChIInChI=1S/C8H11N3/c1-6(2)8-3-7(4-9)5-10-11-8/h3,5-6,8,11H,1-2H3
InChIKeyVEAFYAHTCHOPJX-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.05
Rot. Bonds1

About 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile

6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile (PubChem CID 170742464) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile
PubChem CID170742464
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile
SMILESCC(C)C1C=C(C#N)C=NN1
InChIInChI=1S/C8H11N3/c1-6(2)8-3-7(4-9)5-10-11-8/h3,5-6,8,11H,1-2H3
InChIKeyVEAFYAHTCHOPJX-UHFFFAOYSA-N
XLogP1.05
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile?
The IUPAC name of 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile (CID 170742464) is 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile.
What is the SMILES notation for 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile?
The canonical SMILES for 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile is CC(C)C1C=C(C#N)C=NN1.
What is the InChIKey of 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile?
The InChIKey is VEAFYAHTCHOPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6(2)8-3-7(4-9)5-10-11-8/h3,5-6,8,11H,1-2H3.
What are the key properties of 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile?
6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile has a molecular weight of 149.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1,6-dihydropyridazine-4-carbonitrile is sourced from PubChem (CID 170742464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).