3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide

C10H14N4OS — CID 80511281

IUPAC3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1NCC1CCOC1
InChIInChI=1S/C10H14N4OS/c11-9(16)8-1-3-13-14-10(8)12-5-7-2-4-15-6-7/h1,3,7H,2,4-6H2,(H2,11,16)(H,12,14)
InChIKeyLHWAYWWYLIQSHT-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.56
Rot. Bonds4

About 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide

3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide (PubChem CID 80511281) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
PubChem CID80511281
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1NCC1CCOC1
InChIInChI=1S/C10H14N4OS/c11-9(16)8-1-3-13-14-10(8)12-5-7-2-4-15-6-7/h1,3,7H,2,4-6H2,(H2,11,16)(H,12,14)
InChIKeyLHWAYWWYLIQSHT-UHFFFAOYSA-N
XLogP0.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(oxan-4-ylmethylamino)pyridazine-4-carbothioamide
CID 80511706
3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517608
3-(oxan-4-ylmethylamino)pyridine-4-carbothioamide
CID 113269693
3-[(4-methyloxan-4-yl)methylamino]pyridazine-4-carbothioamide
CID 114125561
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-(oxolan-3-ylmethylsulfamoyl)pyridine-2-carbothioamide
CID 106597230
[(3S)-oxolan-3-yl]methylthiourea
CID 155092618
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 115474100
3-(oxan-4-yloxy)pyridazine-4-carbothioamide
CID 80512432
3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
CID 80511090

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide (CID 80511281) is 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1NCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide?
The InChIKey is LHWAYWWYLIQSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-9(16)8-1-3-13-14-10(8)12-5-7-2-4-15-6-7/h1,3,7H,2,4-6H2,(H2,11,16)(H,12,14).
What are the key properties of 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide?
3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide has a molecular weight of 238.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80511281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).