2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C7H11N5 — CID 69191658

IUPAC2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1CC(c2nn[nH]n2)=CCN1
InChIInChI=1S/C7H11N5/c1-5-4-6(2-3-8-5)7-9-11-12-10-7/h2,5,8H,3-4H2,1H3,(H,9,10,11,12)
InChIKeyQXHAPXIHKGQFJF-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.04
Rot. Bonds1

About 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine

2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 69191658) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID69191658
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1CC(c2nn[nH]n2)=CCN1
InChIInChI=1S/C7H11N5/c1-5-4-6(2-3-8-5)7-9-11-12-10-7/h2,5,8H,3-4H2,1H3,(H,9,10,11,12)
InChIKeyQXHAPXIHKGQFJF-UHFFFAOYSA-N
XLogP-0.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 69191658) is 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine is CC1CC(c2nn[nH]n2)=CCN1.
What is the InChIKey of 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is QXHAPXIHKGQFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-5-4-6(2-3-8-5)7-9-11-12-10-7/h2,5,8H,3-4H2,1H3,(H,9,10,11,12).
What are the key properties of 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 165.20 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69191658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).