(pyridazine-4-carbonylamino)thiourea

C6H7N5OS — CID 104672951

IUPAC(pyridazine-4-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1ccnnc1
InChIInChI=1S/C6H7N5OS/c7-6(13)11-10-5(12)4-1-2-8-9-3-4/h1-3H,(H,10,12)(H3,7,11,13)
InChIKeySCOMHQCTTKESIU-UHFFFAOYSA-N
MW197.22 g/mol
LogP-1.05
Rot. Bonds1

About (pyridazine-4-carbonylamino)thiourea

(pyridazine-4-carbonylamino)thiourea (PubChem CID 104672951) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is (pyridazine-4-carbonylamino)thiourea.

Molecular Properties

Compound Name(pyridazine-4-carbonylamino)thiourea
PubChem CID104672951
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC Name(pyridazine-4-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1ccnnc1
InChIInChI=1S/C6H7N5OS/c7-6(13)11-10-5(12)4-1-2-8-9-3-4/h1-3H,(H,10,12)(H3,7,11,13)
InChIKeySCOMHQCTTKESIU-UHFFFAOYSA-N
XLogP-1.05
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-1.05
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

pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
pyridazine-4-carboxamide
CID 10920505
benzamidothiourea
CID 781748
N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
CID 104670500
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(3-amino-2-hydroxy-3-oxopropyl)pyridazine-4-carboxamide
CID 106164807
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
CID 104670473
N-methylsulfonylpyridazine-4-carboxamide
CID 130725112
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814

Frequently Asked Questions

What is the IUPAC name of (pyridazine-4-carbonylamino)thiourea?
The IUPAC name of (pyridazine-4-carbonylamino)thiourea (CID 104672951) is (pyridazine-4-carbonylamino)thiourea.
What is the SMILES notation for (pyridazine-4-carbonylamino)thiourea?
The canonical SMILES for (pyridazine-4-carbonylamino)thiourea is NC(=S)NNC(=O)c1ccnnc1.
What is the InChIKey of (pyridazine-4-carbonylamino)thiourea?
The InChIKey is SCOMHQCTTKESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c7-6(13)11-10-5(12)4-1-2-8-9-3-4/h1-3H,(H,10,12)(H3,7,11,13).
What are the key properties of (pyridazine-4-carbonylamino)thiourea?
(pyridazine-4-carbonylamino)thiourea has a molecular weight of 197.22 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridazine-4-carbonylamino)thiourea is sourced from PubChem (CID 104672951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).