5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C7H11N5 — CID 10352041

IUPAC5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C7H11N5/c1-12-10-7(9-11-12)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
InChIKeyLOCLBTCANXTQMC-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.41
Rot. Bonds1

About 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 10352041) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID10352041
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C7H11N5/c1-12-10-7(9-11-12)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
InChIKeyLOCLBTCANXTQMC-UHFFFAOYSA-N
XLogP-0.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 10352041) is 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is Cn1nnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is LOCLBTCANXTQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-12-10-7(9-11-12)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3.
What are the key properties of 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 165.20 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10352041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).