6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

C9H15N5 — CID 68863011

IUPAC6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1nnc(C2C=CCCN2C)n1
InChIInChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-6-4-5-7-13(8)2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyUHHWHAHXTWYLHX-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.63
Rot. Bonds2

About 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 68863011) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID68863011
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1nnc(C2C=CCCN2C)n1
InChIInChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-6-4-5-7-13(8)2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyUHHWHAHXTWYLHX-UHFFFAOYSA-N
XLogP0.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 68863011) is 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCn1nnc(C2C=CCCN2C)n1.
What is the InChIKey of 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is UHHWHAHXTWYLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-6-4-5-7-13(8)2/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 193.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 68863011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).