3-azido-5,6-diethylpyridazine-4-carbonitrile

C9H10N6 — CID 80583621

IUPAC3-azido-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N=[N+]=[N-])c(C#N)c1CC
InChIInChI=1S/C9H10N6/c1-3-6-7(5-10)9(14-15-11)13-12-8(6)4-2/h3-4H2,1-2H3
InChIKeyHDHZAVVJESDWCC-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.41
Rot. Bonds3

About 3-azido-5,6-diethylpyridazine-4-carbonitrile

3-azido-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80583621) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-azido-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-azido-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80583621
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3-azido-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N=[N+]=[N-])c(C#N)c1CC
InChIInChI=1S/C9H10N6/c1-3-6-7(5-10)9(14-15-11)13-12-8(6)4-2/h3-4H2,1-2H3
InChIKeyHDHZAVVJESDWCC-UHFFFAOYSA-N
XLogP2.41
TPSA98.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(2-propan-2-yloxyethoxy)pyridazine-4-carbonitrile
CID 80510168
3-(2-amino-2-ethylbutoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80516444
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504557
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829
5,6-diethyl-3-prop-2-enoxypyridazine-4-carbonitrile
CID 80510752
3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile
CID 84586929
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-(1-ethoxypropan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80510272
3-(2-chloroethylsulfonyl)-5,6-diethylpyridazine-4-carbonitrile
CID 80514371

Frequently Asked Questions

What is the IUPAC name of 3-azido-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-azido-5,6-diethylpyridazine-4-carbonitrile (CID 80583621) is 3-azido-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-azido-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-azido-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N=[N+]=[N-])c(C#N)c1CC.
What is the InChIKey of 3-azido-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is HDHZAVVJESDWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-3-6-7(5-10)9(14-15-11)13-12-8(6)4-2/h3-4H2,1-2H3.
What are the key properties of 3-azido-5,6-diethylpyridazine-4-carbonitrile?
3-azido-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 202.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80583621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).