3-(4-methylpentoxy)pyridazine-4-carbonitrile

C11H15N3O — CID 80510178

IUPAC3-(4-methylpentoxy)pyridazine-4-carbonitrile
SMILESCC(C)CCCOc1nnccc1C#N
InChIInChI=1S/C11H15N3O/c1-9(2)4-3-7-15-11-10(8-12)5-6-13-14-11/h5-6,9H,3-4,7H2,1-2H3
InChIKeyGIDLWCTZFYTHRF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.16
Rot. Bonds5

About 3-(4-methylpentoxy)pyridazine-4-carbonitrile

3-(4-methylpentoxy)pyridazine-4-carbonitrile (PubChem CID 80510178) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(4-methylpentoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-methylpentoxy)pyridazine-4-carbonitrile
PubChem CID80510178
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(4-methylpentoxy)pyridazine-4-carbonitrile
SMILESCC(C)CCCOc1nnccc1C#N
InChIInChI=1S/C11H15N3O/c1-9(2)4-3-7-15-11-10(8-12)5-6-13-14-11/h5-6,9H,3-4,7H2,1-2H3
InChIKeyGIDLWCTZFYTHRF-UHFFFAOYSA-N
XLogP2.16
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yloxypyridazine-4-carbonitrile
CID 80510144
3-prop-2-ynoxypyridazine-4-carbonitrile
CID 80510731
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
3-(2,2,3,3-tetrafluoropropoxy)pyridazine-4-carbonitrile
CID 80510710
2-bromo-4-(4-methylpentoxy)benzonitrile
CID 107276960
5-(4-methylpentoxy)pyridine-2-carbonitrile
CID 115487904
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80510980
2-[2-(4-methylpentoxy)ethoxy]benzonitrile
CID 43289722
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
CID 80510085

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(4-methylpentoxy)pyridazine-4-carbonitrile (CID 80510178) is 3-(4-methylpentoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-methylpentoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-methylpentoxy)pyridazine-4-carbonitrile is CC(C)CCCOc1nnccc1C#N.
What is the InChIKey of 3-(4-methylpentoxy)pyridazine-4-carbonitrile?
The InChIKey is GIDLWCTZFYTHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)4-3-7-15-11-10(8-12)5-6-13-14-11/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-methylpentoxy)pyridazine-4-carbonitrile?
3-(4-methylpentoxy)pyridazine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).