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

C7H11N5 — CID 10241140

IUPAC1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C7H11N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h3H,2,4-5H2,1H3,(H,8,9,10,11)
InChIKeyCILLGJGQRHDRLI-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.08
Rot. Bonds1

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

1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 10241140) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID10241140
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C7H11N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h3H,2,4-5H2,1H3,(H,8,9,10,11)
InChIKeyCILLGJGQRHDRLI-UHFFFAOYSA-N
XLogP-0.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 10241140) is 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is CN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is CILLGJGQRHDRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h3H,2,4-5H2,1H3,(H,8,9,10,11).
What are the key properties of 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 165.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10241140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).