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

C8H13N5 — CID 15185521

IUPAC1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2nnnn2C)C1
InChIInChI=1S/C8H13N5/c1-12-5-3-4-7(6-12)8-9-10-11-13(8)2/h4H,3,5-6H2,1-2H3
InChIKeyINOQPVRNJBTWPG-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.07
Rot. Bonds1

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

1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 15185521) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID15185521
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2nnnn2C)C1
InChIInChI=1S/C8H13N5/c1-12-5-3-4-7(6-12)8-9-10-11-13(8)2/h4H,3,5-6H2,1-2H3
InChIKeyINOQPVRNJBTWPG-UHFFFAOYSA-N
XLogP-0.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 15185521) is 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine is CN1CCC=C(c2nnnn2C)C1.
What is the InChIKey of 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is INOQPVRNJBTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-12-5-3-4-7(6-12)8-9-10-11-13(8)2/h4H,3,5-6H2,1-2H3.
What are the key properties of 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 179.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15185521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).