2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide

C16H20N4O2 — CID 82445083

IUPAC2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cccc(OC(C)C)c2)nn(CC)c1=O
InChIInChI=1S/C16H20N4O2/c1-4-20-16(21)13(15(17)18)9-14(19-20)11-6-5-7-12(8-11)22-10(2)3/h5-10H,4H2,1-3H3,(H3,17,18)
InChIKeyDCMDPMURZBCAIA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.00
Rot. Bonds5

About 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide

2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide (PubChem CID 82445083) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
PubChem CID82445083
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cccc(OC(C)C)c2)nn(CC)c1=O
InChIInChI=1S/C16H20N4O2/c1-4-20-16(21)13(15(17)18)9-14(19-20)11-6-5-7-12(8-11)22-10(2)3/h5-10H,4H2,1-3H3,(H3,17,18)
InChIKeyDCMDPMURZBCAIA-UHFFFAOYSA-N
XLogP2.00
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
4-(aminomethyl)-6-(3-propan-2-yloxyphenyl)-2-propylpyridazin-3-one
CID 82446845
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
CID 82453003
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
CID 82446796
4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
CID 82467495
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444310
ethyl 2-(2-amino-2-oxoethyl)-6-(3-bromophenyl)-3-oxopyridazine-4-carboxylate
CID 100785538
ethyl 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 7664984

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide?
The IUPAC name of 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide (CID 82445083) is 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide?
The canonical SMILES for 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2cccc(OC(C)C)c2)nn(CC)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide?
The InChIKey is DCMDPMURZBCAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-20-16(21)13(15(17)18)9-14(19-20)11-6-5-7-12(8-11)22-10(2)3/h5-10H,4H2,1-3H3,(H3,17,18).
What are the key properties of 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide?
2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide has a molecular weight of 300.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide is sourced from PubChem (CID 82445083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).