6-methyl-1,2-dihydropyridazine-3-carbonitrile

C6H7N3 — CID 67965418

IUPAC6-methyl-1,2-dihydropyridazine-3-carbonitrile
SMILESCC1=CC=C(C#N)NN1
InChIInChI=1S/C6H7N3/c1-5-2-3-6(4-7)9-8-5/h2-3,8-9H,1H3
InChIKeyKDMADDBAOBZNEL-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.41
Rot. Bonds

About 6-methyl-1,2-dihydropyridazine-3-carbonitrile

6-methyl-1,2-dihydropyridazine-3-carbonitrile (PubChem CID 67965418) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 6-methyl-1,2-dihydropyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-1,2-dihydropyridazine-3-carbonitrile
PubChem CID67965418
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name6-methyl-1,2-dihydropyridazine-3-carbonitrile
SMILESCC1=CC=C(C#N)NN1
InChIInChI=1S/C6H7N3/c1-5-2-3-6(4-7)9-8-5/h2-3,8-9H,1H3
InChIKeyKDMADDBAOBZNEL-UHFFFAOYSA-N
XLogP0.41
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2-dihydropyridazine-3-carbonitrile?
The IUPAC name of 6-methyl-1,2-dihydropyridazine-3-carbonitrile (CID 67965418) is 6-methyl-1,2-dihydropyridazine-3-carbonitrile.
What is the SMILES notation for 6-methyl-1,2-dihydropyridazine-3-carbonitrile?
The canonical SMILES for 6-methyl-1,2-dihydropyridazine-3-carbonitrile is CC1=CC=C(C#N)NN1.
What is the InChIKey of 6-methyl-1,2-dihydropyridazine-3-carbonitrile?
The InChIKey is KDMADDBAOBZNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-2-3-6(4-7)9-8-5/h2-3,8-9H,1H3.
What are the key properties of 6-methyl-1,2-dihydropyridazine-3-carbonitrile?
6-methyl-1,2-dihydropyridazine-3-carbonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2-dihydropyridazine-3-carbonitrile is sourced from PubChem (CID 67965418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).