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

C9H15N5 — CID 141005228

IUPAC2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1nnc(C2CC=CCN2C)n1
InChIInChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-6-4-5-7-13(8)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyOXQDRJDJKHKZDV-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.63
Rot. Bonds2

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

2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 141005228) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID141005228
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1nnc(C2CC=CCN2C)n1
InChIInChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-6-4-5-7-13(8)2/h4-5,8H,3,6-7H2,1-2H3
InChIKeyOXQDRJDJKHKZDV-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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Related Compounds

1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 19612505
1,2-dimethyl-5-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 19612512
6-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 68863011
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
5-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
CID 165456092

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 141005228) is 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCn1nnc(C2CC=CCN2C)n1.
What is the InChIKey of 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OXQDRJDJKHKZDV-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/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
2-(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 2-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141005228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).