3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide

C12H16N4S — CID 80511090

IUPAC3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1NC(C1CC1)C1CC1
InChIInChI=1S/C12H16N4S/c13-11(17)9-5-6-14-16-12(9)15-10(7-1-2-7)8-3-4-8/h5-8,10H,1-4H2,(H2,13,17)(H,15,16)
InChIKeyYHZKAWPPNUCQQO-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.71
Rot. Bonds5

About 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide

3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide (PubChem CID 80511090) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
PubChem CID80511090
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1NC(C1CC1)C1CC1
InChIInChI=1S/C12H16N4S/c13-11(17)9-5-6-14-16-12(9)15-10(7-1-2-7)8-3-4-8/h5-8,10H,1-4H2,(H2,13,17)(H,15,16)
InChIKeyYHZKAWPPNUCQQO-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-carbamothioylpyridazin-3-yl)amino]-N-methylpropanamide
CID 80512272
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
CID 83016391
3-(oxan-4-ylmethylamino)pyridazine-4-carbothioamide
CID 80511706
3-[(3,5-dimethylcyclohexyl)amino]pyridazine-4-carbothioamide
CID 80511571
6-(dicyclopropylmethylamino)pyridine-3-carbothioamide
CID 54958533
3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
CID 80511242
2-(dicyclopropylmethylamino)-3-methylbenzenecarbothioamide
CID 107108014
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-4-carbothioamide
CID 113387313
3-[1-(3-chlorophenyl)ethylamino]pyridazine-4-carbothioamide
CID 80511406
3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
CID 80511281
3-[(2,3-dimethylcyclohexyl)amino]pyridazine-4-carbothioamide
CID 80510774

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide (CID 80511090) is 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide is NC(=S)c1ccnnc1NC(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide?
The InChIKey is YHZKAWPPNUCQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-11(17)9-5-6-14-16-12(9)15-10(7-1-2-7)8-3-4-8/h5-8,10H,1-4H2,(H2,13,17)(H,15,16).
What are the key properties of 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide?
3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide has a molecular weight of 248.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80511090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).