3-indazol-1-ylpyridazine-4-carbothioamide

C12H9N5S — CID 80511724

IUPAC3-indazol-1-ylpyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1-n1ncc2ccccc21
InChIInChI=1S/C12H9N5S/c13-11(18)9-5-6-14-16-12(9)17-10-4-2-1-3-8(10)7-15-17/h1-7H,(H2,13,18)
InChIKeyQISQAVMAHSOQAD-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.45
Rot. Bonds2

About 3-indazol-1-ylpyridazine-4-carbothioamide

3-indazol-1-ylpyridazine-4-carbothioamide (PubChem CID 80511724) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-indazol-1-ylpyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-indazol-1-ylpyridazine-4-carbothioamide
PubChem CID80511724
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name3-indazol-1-ylpyridazine-4-carbothioamide
SMILESNC(=S)c1ccnnc1-n1ncc2ccccc21
InChIInChI=1S/C12H9N5S/c13-11(18)9-5-6-14-16-12(9)17-10-4-2-1-3-8(10)7-15-17/h1-7H,(H2,13,18)
InChIKeyQISQAVMAHSOQAD-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-indazol-1-ylpyridazine-4-carbonitrile
CID 80509904
(2-indazol-1-yl-3-pyridinyl)methanol
CID 62140582
1-(4-carbamothioylpyridazin-3-yl)pyrazole-4-carboxamide
CID 80511607
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazine-4-carbothioamide
CID 80511478
2-(2-indazol-1-ylphenyl)pyridine-3-carboxamide
CID 174764256
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157
(3-indazol-1-yl-5,6-dimethylpyridazin-4-yl)methanamine
CID 62141117
3-(4-cyclopropylpiperazin-1-yl)pyridazine-4-carbothioamide
CID 80512243
N-[(2-indazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
CID 62294641
2-chloro-4-indazol-1-ylbenzenecarboximidamide
CID 62948880
2-indazol-1-ylpyrimidine-4,6-diamine
CID 90303723
3-(benzotriazol-1-yl)pyridazine-4-carboximidamide
CID 80513597

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpyridazine-4-carbothioamide?
The IUPAC name of 3-indazol-1-ylpyridazine-4-carbothioamide (CID 80511724) is 3-indazol-1-ylpyridazine-4-carbothioamide.
What is the SMILES notation for 3-indazol-1-ylpyridazine-4-carbothioamide?
The canonical SMILES for 3-indazol-1-ylpyridazine-4-carbothioamide is NC(=S)c1ccnnc1-n1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylpyridazine-4-carbothioamide?
The InChIKey is QISQAVMAHSOQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c13-11(18)9-5-6-14-16-12(9)17-10-4-2-1-3-8(10)7-15-17/h1-7H,(H2,13,18).
What are the key properties of 3-indazol-1-ylpyridazine-4-carbothioamide?
3-indazol-1-ylpyridazine-4-carbothioamide has a molecular weight of 255.31 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpyridazine-4-carbothioamide is sourced from PubChem (CID 80511724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).