[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine

C10H11N7O2S — CID 80920032

IUPAC[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine
SMILESNNc1cc(Sc2nnnn2C2CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N7O2S/c11-12-6-3-8(17(18)19)5-9(4-6)20-10-13-14-15-16(10)7-1-2-7/h3-5,7,12H,1-2,11H2
InChIKeyGEGWLRFEWPQXTM-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.35
Rot. Bonds5

About [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine

[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine (PubChem CID 80920032) has the molecular formula C10H11N7O2S and a molecular weight of 293.31 g/mol. Its IUPAC name is [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine
PubChem CID80920032
Molecular FormulaC10H11N7O2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine
SMILESNNc1cc(Sc2nnnn2C2CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H11N7O2S/c11-12-6-3-8(17(18)19)5-9(4-6)20-10-13-14-15-16(10)7-1-2-7/h3-5,7,12H,1-2,11H2
InChIKeyGEGWLRFEWPQXTM-UHFFFAOYSA-N
XLogP1.35
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine?
The IUPAC name of [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine (CID 80920032) is [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine?
The canonical SMILES for [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine is NNc1cc(Sc2nnnn2C2CC2)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine?
The InChIKey is GEGWLRFEWPQXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2S/c11-12-6-3-8(17(18)19)5-9(4-6)20-10-13-14-15-16(10)7-1-2-7/h3-5,7,12H,1-2,11H2.
What are the key properties of [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine?
[3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine has a molecular weight of 293.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-nitrophenyl]hydrazine is sourced from PubChem (CID 80920032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).