2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide

C9H10N6OS — CID 671673

IUPAC2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H10N6OS/c10-11-8(16)6-17-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,16)
InChIKeyVICAGCCAGCMBGC-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.26
Rot. Bonds4

About 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide

2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide (PubChem CID 671673) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
PubChem CID671673
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1nnnn1-c1ccccc1
InChIInChI=1S/C9H10N6OS/c10-11-8(16)6-17-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,16)
InChIKeyVICAGCCAGCMBGC-UHFFFAOYSA-N
XLogP-0.26
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide (CID 671673) is 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide is NNC(=O)CSc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
The InChIKey is VICAGCCAGCMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c10-11-8(16)6-17-9-12-13-14-15(9)7-4-2-1-3-5-7/h1-5H,6,10H2,(H,11,16).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide?
2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide has a molecular weight of 250.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanylacetohydrazide is sourced from PubChem (CID 671673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).