3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide

C14H16N4O — CID 80514283

IUPAC3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1c(C)ccc(C)c1C
InChIInChI=1S/C14H16N4O/c1-8-4-5-9(2)12(10(8)3)19-14-11(13(15)16)6-7-17-18-14/h4-7H,1-3H3,(H3,15,16)
InChIKeyRKLSFARQQDRTJP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds3

About 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide

3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide (PubChem CID 80514283) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
PubChem CID80514283
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1c(C)ccc(C)c1C
InChIInChI=1S/C14H16N4O/c1-8-4-5-9(2)12(10(8)3)19-14-11(13(15)16)6-7-17-18-14/h4-7H,1-3H3,(H3,15,16)
InChIKeyRKLSFARQQDRTJP-UHFFFAOYSA-N
XLogP2.48
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
CID 107724658
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
3-(3-methyl-4-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514301
3-(2-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80513986
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173
4-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 55155138
3-(4-bromo-2-chlorophenoxy)pyridazine-4-carboximidamide
CID 80514235
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169
3-[(5-bromo-3-pyridinyl)oxy]pyridazine-4-carboximidamide
CID 80514131
6-(2,3,6-trimethylphenoxy)pyridine-2-carboximidamide
CID 64596172
3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514220

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide?
The IUPAC name of 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide (CID 80514283) is 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1Oc1c(C)ccc(C)c1C.
What is the InChIKey of 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide?
The InChIKey is RKLSFARQQDRTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-4-5-9(2)12(10(8)3)19-14-11(13(15)16)6-7-17-18-14/h4-7H,1-3H3,(H3,15,16).
What are the key properties of 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide?
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide has a molecular weight of 256.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 80514283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).