3-(cyclopentylmethoxy)pyridazine-4-carbothioamide

C11H15N3OS — CID 80512708

IUPAC3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1OCC1CCCC1
InChIInChI=1S/C11H15N3OS/c12-10(16)9-5-6-13-14-11(9)15-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,12,16)
InChIKeyHBCUAGNUAZPFNL-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.68
Rot. Bonds4

About 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide

3-(cyclopentylmethoxy)pyridazine-4-carbothioamide (PubChem CID 80512708) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
PubChem CID80512708
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-(cyclopentylmethoxy)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1OCC1CCCC1
InChIInChI=1S/C11H15N3OS/c12-10(16)9-5-6-13-14-11(9)15-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,12,16)
InChIKeyHBCUAGNUAZPFNL-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-cyclopropylethoxy)pyridazine-4-carbothioamide
CID 106201688
2-(cyclopentylmethoxy)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876710
3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
CID 80514099
3-(3-methoxypropoxy)pyridazine-4-carbothioamide
CID 80512547
3-(2-pyrrolidin-1-ylethoxy)pyridazine-4-carbothioamide
CID 80512741
3-(oxan-4-yloxy)pyridazine-4-carbothioamide
CID 80512432
3-[2-(dimethylamino)-2-methylpropoxy]pyridazine-4-carbothioamide
CID 80512781
3-(2-propoxyethoxy)pyridazine-4-carbothioamide
CID 80512552
2-cyclopentyloxypyridine-3-carbothioamide
CID 24707361
2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
2-(cyclohexylmethoxy)pyridine-4-carbothioamide
CID 62384097
2-(cyclopentylmethoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 66323052

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide?
The IUPAC name of 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide (CID 80512708) is 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1OCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide?
The InChIKey is HBCUAGNUAZPFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-10(16)9-5-6-13-14-11(9)15-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,12,16).
What are the key properties of 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide?
3-(cyclopentylmethoxy)pyridazine-4-carbothioamide has a molecular weight of 237.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)pyridazine-4-carbothioamide is sourced from PubChem (CID 80512708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).