3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide

C12H18N4O — CID 80514124

IUPAC3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OC1CCCC(C)C1
InChIInChI=1S/C12H18N4O/c1-8-3-2-4-9(7-8)17-12-10(11(13)14)5-6-15-16-12/h5-6,8-9H,2-4,7H2,1H3,(H3,13,14)
InChIKeyHFDUSIHSOGYGTJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.72
Rot. Bonds3

About 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide

3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide (PubChem CID 80514124) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide
PubChem CID80514124
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OC1CCCC(C)C1
InChIInChI=1S/C12H18N4O/c1-8-3-2-4-9(7-8)17-12-10(11(13)14)5-6-15-16-12/h5-6,8-9H,2-4,7H2,1H3,(H3,13,14)
InChIKeyHFDUSIHSOGYGTJ-UHFFFAOYSA-N
XLogP1.72
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.72
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-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514220
2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
CID 112755848
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051
3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
CID 80514099
3-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
CID 80514283
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide?
The IUPAC name of 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide (CID 80514124) is 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide?
The canonical SMILES for 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1OC1CCCC(C)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide?
The InChIKey is HFDUSIHSOGYGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-3-2-4-9(7-8)17-12-10(11(13)14)5-6-15-16-12/h5-6,8-9H,2-4,7H2,1H3,(H3,13,14).
What are the key properties of 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide?
3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide is sourced from PubChem (CID 80514124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).