2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

C16H14N6O4S — CID 3115405

IUPAC2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H14N6O4S/c23-11-6-7-12(13(24)8-11)15(26)18-17-14(25)9-27-16-19-20-21-22(16)10-4-2-1-3-5-10/h1-8,23-24H,9H2,(H,17,25)(H,18,26)
InChIKeyVNQYMRPJDKIQFQ-UHFFFAOYSA-N
MW386.39 g/mol
LogP0.63
Rot. Bonds5

About 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide

2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (PubChem CID 3115405) has the molecular formula C16H14N6O4S and a molecular weight of 386.39 g/mol. Its IUPAC name is 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
PubChem CID3115405
Molecular FormulaC16H14N6O4S
Molecular Weight386.39 g/mol
Exact Mass386.08
IUPAC Name2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide
SMILESO=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H14N6O4S/c23-11-6-7-12(13(24)8-11)15(26)18-17-14(25)9-27-16-19-20-21-22(16)10-4-2-1-3-5-10/h1-8,23-24H,9H2,(H,17,25)(H,18,26)
InChIKeyVNQYMRPJDKIQFQ-UHFFFAOYSA-N
XLogP0.63
TPSA142.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide (CID 3115405) is 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is O=C(CSc1nnnn1-c1ccccc1)NNC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
The InChIKey is VNQYMRPJDKIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O4S/c23-11-6-7-12(13(24)8-11)15(26)18-17-14(25)9-27-16-19-20-21-22(16)10-4-2-1-3-5-10/h1-8,23-24H,9H2,(H,17,25)(H,18,26).
What are the key properties of 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide?
2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide has a molecular weight of 386.39 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N'-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 3115405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).