3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile

C12H10N4O2 — CID 102702927

IUPAC3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
SMILESCOc1ccc(N)c(Oc2nnccc2C#N)c1
InChIInChI=1S/C12H10N4O2/c1-17-9-2-3-10(14)11(6-9)18-12-8(7-13)4-5-15-16-12/h2-6H,14H2,1H3
InChIKeyQIZNLSHITODXCB-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.73
Rot. Bonds3

About 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile

3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile (PubChem CID 102702927) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
PubChem CID102702927
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
SMILESCOc1ccc(N)c(Oc2nnccc2C#N)c1
InChIInChI=1S/C12H10N4O2/c1-17-9-2-3-10(14)11(6-9)18-12-8(7-13)4-5-15-16-12/h2-6H,14H2,1H3
InChIKeyQIZNLSHITODXCB-UHFFFAOYSA-N
XLogP1.73
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-methylphenoxy)pyridazine-4-carbonitrile
CID 80514539
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822
2-(2-amino-5-chlorophenoxy)-4-methoxybenzonitrile
CID 81302576
3-(2-amino-4-ethylphenoxy)pyridazine-4-carbonitrile
CID 80514825
3-(4-methoxy-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 103201652
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
3-[4-amino-2-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80514722
2-(4-amino-3-methoxyphenoxy)benzonitrile
CID 63677591
2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
CID 69195684

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile (CID 102702927) is 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile is COc1ccc(N)c(Oc2nnccc2C#N)c1.
What is the InChIKey of 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile?
The InChIKey is QIZNLSHITODXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-17-9-2-3-10(14)11(6-9)18-12-8(7-13)4-5-15-16-12/h2-6H,14H2,1H3.
What are the key properties of 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile?
3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 102702927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).