3-(cyclopropylmethoxy)pyridazine-4-carboximidamide

C9H12N4O — CID 80514099

IUPAC3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OCC1CC1
InChIInChI=1S/C9H12N4O/c10-8(11)7-3-4-12-13-9(7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H3,10,11)
InChIKeySWCGBNHJKGPTBI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.55
Rot. Bonds4

About 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide

3-(cyclopropylmethoxy)pyridazine-4-carboximidamide (PubChem CID 80514099) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
PubChem CID80514099
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OCC1CC1
InChIInChI=1S/C9H12N4O/c10-8(11)7-3-4-12-13-9(7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H3,10,11)
InChIKeySWCGBNHJKGPTBI-UHFFFAOYSA-N
XLogP0.55
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.55
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-(2-cyclobutylethoxy)pyridazine-4-carboximidamide
CID 106202085
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
CID 80512708
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-(3-methylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514124
3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514220
6-methyl-2-(oxan-4-ylmethoxy)pyridine-3-carboximidamide
CID 62382075
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
3-[cyclopentylmethyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513486
3-(3,5-dimethoxyphenoxy)pyridazine-4-carboximidamide
CID 80514150
2-(cyclopentylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 66323708

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide?
The IUPAC name of 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide (CID 80514099) is 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1OCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide?
The InChIKey is SWCGBNHJKGPTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-8(11)7-3-4-12-13-9(7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H3,10,11).
What are the key properties of 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide?
3-(cyclopropylmethoxy)pyridazine-4-carboximidamide has a molecular weight of 192.22 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 80514099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).