6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide

C9H14N4O — CID 103375255

IUPAC6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide
SMILESCOc1ccc(/C(N)=N/C(C)C)nn1
InChIInChI=1S/C9H14N4O/c1-6(2)11-9(10)7-4-5-8(14-3)13-12-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyKBEFUZCQALKARJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.60
Rot. Bonds3

About 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide

6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide (PubChem CID 103375255) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide.

Molecular Properties

Compound Name6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide
PubChem CID103375255
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide
SMILESCOc1ccc(/C(N)=N/C(C)C)nn1
InChIInChI=1S/C9H14N4O/c1-6(2)11-9(10)7-4-5-8(14-3)13-12-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyKBEFUZCQALKARJ-UHFFFAOYSA-N
XLogP0.60
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
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

6-methoxy-N'-methylpyridazine-3-carboximidamide
CID 103375252
N'-ethyl-6-methoxypyridazine-3-carboximidamide
CID 103375253
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
1-(6-methoxypyridazin-3-yl)-4-methylpentan-1-one
CID 103373127
boric acid;3,6-dimethoxypyridazine
CID 139090617
(1R)-1-(6-methoxypyridazin-3-yl)ethanamine
CID 69002716
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
N-(2-amino-2-oxoethyl)-6-methoxypyridazine-3-carboxamide
CID 90509437
(6-methoxypyridazin-3-yl)-phenylmethanone
CID 10242336
1-(6-methoxypyridazin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 103373181
N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide
CID 139548383
3-[(6-methoxypyridazine-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207394

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide?
The IUPAC name of 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide (CID 103375255) is 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide.
What is the SMILES notation for 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide?
The canonical SMILES for 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide is COc1ccc(/C(N)=N/C(C)C)nn1.
What is the InChIKey of 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide?
The InChIKey is KBEFUZCQALKARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)11-9(10)7-4-5-8(14-3)13-12-7/h4-6H,1-3H3,(H2,10,11).
What are the key properties of 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide?
6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide is sourced from PubChem (CID 103375255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).