3-(pentylamino)pyridazine-4-carbothioamide

C10H16N4S — CID 80510880

IUPAC3-(pentylamino)pyridazine-4-carbothioamide
SMILESCCCCCNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4S/c1-2-3-4-6-12-10-8(9(11)15)5-7-13-14-10/h5,7H,2-4,6H2,1H3,(H2,11,15)(H,12,14)
InChIKeySMBVRNBNSPHZED-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.71
Rot. Bonds6

About 3-(pentylamino)pyridazine-4-carbothioamide

3-(pentylamino)pyridazine-4-carbothioamide (PubChem CID 80510880) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(pentylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-(pentylamino)pyridazine-4-carbothioamide
PubChem CID80510880
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-(pentylamino)pyridazine-4-carbothioamide
SMILESCCCCCNc1nnccc1C(N)=S
InChIInChI=1S/C10H16N4S/c1-2-3-4-6-12-10-8(9(11)15)5-7-13-14-10/h5,7H,2-4,6H2,1H3,(H2,11,15)(H,12,14)
InChIKeySMBVRNBNSPHZED-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
CID 106010196
3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-(decylamino)pyridazine-4-carboxylic acid
CID 80517368
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide
CID 80512148
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
2-[(4-carbamothioylpyridazin-3-yl)amino]-2-methylpropanamide
CID 80511155
3-(propylamino)pyridazine-4-carboximidamide
CID 80513462
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propan-2-ylacetamide
CID 80512381
3-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbothioamide
CID 80511799
3-(2,2-dimethylhydrazinyl)pyridazine-4-carbothioamide
CID 83016391
3-[(4-chlorophenyl)methylamino]pyridazine-4-carbothioamide
CID 80512063

Frequently Asked Questions

What is the IUPAC name of 3-(pentylamino)pyridazine-4-carbothioamide?
The IUPAC name of 3-(pentylamino)pyridazine-4-carbothioamide (CID 80510880) is 3-(pentylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 3-(pentylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 3-(pentylamino)pyridazine-4-carbothioamide is CCCCCNc1nnccc1C(N)=S.
What is the InChIKey of 3-(pentylamino)pyridazine-4-carbothioamide?
The InChIKey is SMBVRNBNSPHZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-3-4-6-12-10-8(9(11)15)5-7-13-14-10/h5,7H,2-4,6H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of 3-(pentylamino)pyridazine-4-carbothioamide?
3-(pentylamino)pyridazine-4-carbothioamide has a molecular weight of 224.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80510880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).