3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide

C13H21N5S — CID 80511242

IUPAC3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
SMILESCC(CN1CCCCC1)Nc1nnccc1C(N)=S
InChIInChI=1S/C13H21N5S/c1-10(9-18-7-3-2-4-8-18)16-13-11(12(14)19)5-6-15-17-13/h5-6,10H,2-4,7-9H2,1H3,(H2,14,19)(H,16,17)
InChIKeyAWAMXGZDWQKVBA-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.40
Rot. Bonds5

About 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide

3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide (PubChem CID 80511242) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
PubChem CID80511242
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide
SMILESCC(CN1CCCCC1)Nc1nnccc1C(N)=S
InChIInChI=1S/C13H21N5S/c1-10(9-18-7-3-2-4-8-18)16-13-11(12(14)19)5-6-15-17-13/h5-6,10H,2-4,7-9H2,1H3,(H2,14,19)(H,16,17)
InChIKeyAWAMXGZDWQKVBA-UHFFFAOYSA-N
XLogP1.40
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288317
5-chloro-2-(1-piperidin-1-ylpropan-2-ylamino)benzenecarbothioamide
CID 62494206
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propan-2-ylacetamide
CID 80512381
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
CID 80511799
3-(dicyclopropylmethylamino)pyridazine-4-carbothioamide
CID 80511090
6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 61474335
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
6-methoxy-2-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2,3-diamine
CID 115320544
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
methyl 6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridazine-3-carboxylate
CID 61222218
3-[1-(3-chlorophenyl)ethylamino]pyridazine-4-carbothioamide
CID 80511406

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide (CID 80511242) is 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide is CC(CN1CCCCC1)Nc1nnccc1C(N)=S.
What is the InChIKey of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide?
The InChIKey is AWAMXGZDWQKVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-10(9-18-7-3-2-4-8-18)16-13-11(12(14)19)5-6-15-17-13/h5-6,10H,2-4,7-9H2,1H3,(H2,14,19)(H,16,17).
What are the key properties of 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide?
3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylpropan-2-ylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80511242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).