3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide

C11H14N6S — CID 114139207

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide
SMILESCc1c(CNc2nnccc2C(N)=S)cnn1C
InChIInChI=1S/C11H14N6S/c1-7-8(6-15-17(7)2)5-13-11-9(10(12)18)3-4-14-16-11/h3-4,6H,5H2,1-2H3,(H2,12,18)(H,13,16)
InChIKeyJWLTXOBNTWOMNZ-UHFFFAOYSA-N
MW262.34 g/mol
LogP0.76
Rot. Bonds4

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide

3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide (PubChem CID 114139207) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide
PubChem CID114139207
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide
SMILESCc1c(CNc2nnccc2C(N)=S)cnn1C
InChIInChI=1S/C11H14N6S/c1-7-8(6-15-17(7)2)5-13-11-9(10(12)18)3-4-14-16-11/h3-4,6H,5H2,1-2H3,(H2,12,18)(H,13,16)
InChIKeyJWLTXOBNTWOMNZ-UHFFFAOYSA-N
XLogP0.76
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridazine-4-carbothioamide
CID 80511449
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
3-(2,2-dimethylpropylamino)pyridazine-4-carbothioamide
CID 80512264
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
3-[(4-chlorophenyl)methylamino]pyridazine-4-carbothioamide
CID 80512063
3-(2-pyrazol-1-ylethylamino)pyridazine-4-carbothioamide
CID 80512148
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-6-ethylsulfanylbenzenecarbothioamide
CID 106036052
3-(pentylamino)pyridazine-4-carbothioamide
CID 80510880
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carbothioamide
CID 104761839
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide (CID 114139207) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide is Cc1c(CNc2nnccc2C(N)=S)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide?
The InChIKey is JWLTXOBNTWOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-7-8(6-15-17(7)2)5-13-11-9(10(12)18)3-4-14-16-11/h3-4,6H,5H2,1-2H3,(H2,12,18)(H,13,16).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide has a molecular weight of 262.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridazine-4-carbothioamide is sourced from PubChem (CID 114139207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).