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

C8H13N5 — CID 10375010

IUPAC3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1C=C(c2nnn(C)n2)CNC1
InChIInChI=1S/C8H13N5/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8/h3,6,9H,4-5H2,1-2H3
InChIKeyVDKYAJOVAIFMAU-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.17
Rot. Bonds1

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

3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 10375010) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID10375010
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1C=C(c2nnn(C)n2)CNC1
InChIInChI=1S/C8H13N5/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8/h3,6,9H,4-5H2,1-2H3
InChIKeyVDKYAJOVAIFMAU-UHFFFAOYSA-N
XLogP-0.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 10375010) is 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is CC1C=C(c2nnn(C)n2)CNC1.
What is the InChIKey of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VDKYAJOVAIFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-6-3-7(5-9-4-6)8-10-12-13(2)11-8/h3,6,9H,4-5H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 179.23 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10375010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).