1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea

C7H10ClN5S — CID 13157701

IUPAC1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNc1ccc(Cl)nn1
InChIInChI=1S/C7H10ClN5S/c1-2-9-7(14)13-12-6-4-3-5(8)10-11-6/h3-4H,2H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyJQXZTDDFBQRUMM-UHFFFAOYSA-N
MW231.71 g/mol
LogP0.94
Rot. Bonds3

About 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea

1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea (PubChem CID 13157701) has the molecular formula C7H10ClN5S and a molecular weight of 231.71 g/mol. Its IUPAC name is 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea
PubChem CID13157701
Molecular FormulaC7H10ClN5S
Molecular Weight231.71 g/mol
Exact Mass231.03
IUPAC Name1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNc1ccc(Cl)nn1
InChIInChI=1S/C7H10ClN5S/c1-2-9-7(14)13-12-6-4-3-5(8)10-11-6/h3-4H,2H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyJQXZTDDFBQRUMM-UHFFFAOYSA-N
XLogP0.94
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-6-hydrazinopyridazine
CID 100787
2-(6-Chloropyridazin-3-yl)-N-methylhydrazine-1-carbothioamide
CID 5358678
1-(6-Chloropyridazin-3-yl)-2-methylhydrazine
CID 57144777
1-[(6-Chloro-4-methylpyridazin-3-yl)amino]-3-methylthiourea
CID 58136891
1-[(6-Chloro-5-methylpyridazin-3-yl)amino]-1-propan-2-ylthiourea
CID 86650813
1-[(6-Chloro-4-methylpyridazin-3-yl)amino]-1-methylthiourea
CID 87210381
1-[(6-Chloro-5-methylpyridazin-3-yl)amino]-3-propan-2-ylthiourea
CID 88533319
1-[(6-Chloro-4,5-dimethylpyridazin-3-yl)amino]-3-ethylthiourea
CID 88582599
(6-Chloropyridazin-3-yl)hydrazine;ethane
CID 91098721
6-chloro-N-(propylideneamino)pyridazin-3-amine
CID 131878411
2-(6-chloro-3-pyridazinyl)-N-isopropylhydrazinecarboxamide
CID 6415358
1-[(6-Chloropyridazin-3-yl)amino]-3-methylurea
CID 47127731

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea?
The IUPAC name of 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea (CID 13157701) is 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea.
What is the SMILES notation for 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea?
The canonical SMILES for 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea is CCNC(=S)NNc1ccc(Cl)nn1.
What is the InChIKey of 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea?
The InChIKey is JQXZTDDFBQRUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5S/c1-2-9-7(14)13-12-6-4-3-5(8)10-11-6/h3-4H,2H2,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea?
1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea has a molecular weight of 231.71 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyridazin-3-yl)amino]-3-ethylthiourea is sourced from PubChem (CID 13157701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).