3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide

C7H8N8S — CID 80515873

IUPAC3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Sc1nnnn1C
InChIInChI=1S/C7H8N8S/c1-15-7(12-13-14-15)16-6-4(5(8)9)2-3-10-11-6/h2-3H,1H3,(H3,8,9)
InChIKeyZPCYXTFRQOAIKV-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.56
Rot. Bonds3

About 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide

3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide (PubChem CID 80515873) has the molecular formula C7H8N8S and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
PubChem CID80515873
Molecular FormulaC7H8N8S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Sc1nnnn1C
InChIInChI=1S/C7H8N8S/c1-15-7(12-13-14-15)16-6-4(5(8)9)2-3-10-11-6/h2-3H,1H3,(H3,8,9)
InChIKeyZPCYXTFRQOAIKV-UHFFFAOYSA-N
XLogP-0.56
TPSA119.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515661
3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515913
3-(3-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515673
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603201
1,3-dimethyl-5-(1-methyltetrazol-5-yl)sulfanylpyrazole-4-carboximidamide
CID 55243104
5-fluoro-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzenecarboximidamide
CID 63291341
3-fluoro-2-(1-methyltetrazol-5-yl)sulfanylpyridine-4-carboxylic acid
CID 105382751
3-[(2-methylphenyl)methylsulfanyl]pyridazine-4-carboximidamide
CID 80515710
2-(1-methylpyrazol-4-yl)sulfanylpyridine-3-carboximidamide
CID 61385303
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-(4-methylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513615
5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
CID 80886704

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide (CID 80515873) is 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1Sc1nnnn1C.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide?
The InChIKey is ZPCYXTFRQOAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N8S/c1-15-7(12-13-14-15)16-6-4(5(8)9)2-3-10-11-6/h2-3H,1H3,(H3,8,9).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide?
3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide has a molecular weight of 236.26 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carboximidamide is sourced from PubChem (CID 80515873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).