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

C14H25N5 — CID 10400545

IUPAC5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCCn1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C14H25N5/c1-3-4-5-6-7-11-19-16-14(15-17-19)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3
InChIKeyRBBQTGOIQULXHG-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.36
Rot. Bonds7

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

5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10400545) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10400545
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCCn1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C14H25N5/c1-3-4-5-6-7-11-19-16-14(15-17-19)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3
InChIKeyRBBQTGOIQULXHG-UHFFFAOYSA-N
XLogP2.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 10400545) is 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCCCCn1nnc(C2=CCCN(C)C2)n1.
What is the InChIKey of 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is RBBQTGOIQULXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-4-5-6-7-11-19-16-14(15-17-19)13-9-8-10-18(2)12-13/h9H,3-8,10-12H2,1-2H3.
What are the key properties of 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 263.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-heptyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10400545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).