3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile

C12H10N4O — CID 80514822

IUPAC3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
SMILESCc1cc(Oc2nnccc2C#N)ccc1N
InChIInChI=1S/C12H10N4O/c1-8-6-10(2-3-11(8)14)17-12-9(7-13)4-5-15-16-12/h2-6H,14H2,1H3
InChIKeyHWMGUOCORSPYHS-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds2

About 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile

3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile (PubChem CID 80514822) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
PubChem CID80514822
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
SMILESCc1cc(Oc2nnccc2C#N)ccc1N
InChIInChI=1S/C12H10N4O/c1-8-6-10(2-3-11(8)14)17-12-9(7-13)4-5-15-16-12/h2-6H,14H2,1H3
InChIKeyHWMGUOCORSPYHS-UHFFFAOYSA-N
XLogP2.03
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
CID 80514539
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile
CID 107111192
3-(3-fluorophenoxy)pyridazine-4-carbonitrile
CID 80510198
3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80514825
3-(4-methylsulfonylphenoxy)pyridazine-4-carbonitrile
CID 80510996
4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
CID 114252551
3-(4-methoxy-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 103201652
3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80510221

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile (CID 80514822) is 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile is Cc1cc(Oc2nnccc2C#N)ccc1N.
What is the InChIKey of 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile?
The InChIKey is HWMGUOCORSPYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-6-10(2-3-11(8)14)17-12-9(7-13)4-5-15-16-12/h2-6H,14H2,1H3.
What are the key properties of 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile?
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80514822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).