6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide

C12H11N7OS — CID 162443651

IUPAC6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2nnc(-c3cccs3)n2)nc1
InChIInChI=1S/C12H11N7OS/c13-15-12(20)8-3-4-9(14-6-8)7-19-17-11(16-18-19)10-2-1-5-21-10/h1-6H,7,13H2,(H,15,20)
InChIKeyAZXFXQPBVBMLPR-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.45
Rot. Bonds4

About 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide

6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide (PubChem CID 162443651) has the molecular formula C12H11N7OS and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide
PubChem CID162443651
Molecular FormulaC12H11N7OS
Molecular Weight301.34 g/mol
Exact Mass301.07
IUPAC Name6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2nnc(-c3cccs3)n2)nc1
InChIInChI=1S/C12H11N7OS/c13-15-12(20)8-3-4-9(14-6-8)7-19-17-11(16-18-19)10-2-1-5-21-10/h1-6H,7,13H2,(H,15,20)
InChIKeyAZXFXQPBVBMLPR-UHFFFAOYSA-N
XLogP0.45
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide?
The IUPAC name of 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide (CID 162443651) is 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide?
The canonical SMILES for 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide is NNC(=O)c1ccc(Cn2nnc(-c3cccs3)n2)nc1.
What is the InChIKey of 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide?
The InChIKey is AZXFXQPBVBMLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c13-15-12(20)8-3-4-9(14-6-8)7-19-17-11(16-18-19)10-2-1-5-21-10/h1-6H,7,13H2,(H,15,20).
What are the key properties of 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide?
6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide has a molecular weight of 301.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-thiophen-2-yltetrazol-2-yl)methyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 162443651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).