1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

C11H19N5 — CID 82365240

IUPAC1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C11H19N5/c1-2-3-4-7-16-8-5-6-10(9-16)11-12-14-15-13-11/h6H,2-5,7-9H2,1H3,(H,12,13,14,15)
InChIKeyRRVSSBAEUHXZQG-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.48
Rot. Bonds5

About 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365240) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365240
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C11H19N5/c1-2-3-4-7-16-8-5-6-10(9-16)11-12-14-15-13-11/h6H,2-5,7-9H2,1H3,(H,12,13,14,15)
InChIKeyRRVSSBAEUHXZQG-UHFFFAOYSA-N
XLogP1.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365279
1-(2-piperidin-1-ylethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365280
1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365250
N-butyl-N-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 82365180
1-[3-(4-ethylphenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 95996756
1-[3-(2-methoxyphenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 95996770
1-[3-(4-fluorophenoxy)propyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365300
1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 82365269
1-[(2-methoxy-5-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365326
ethyl 2-methyl-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82365288
1-[(4-nitrophenyl)methyl]-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
CID 82365231
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365240) is 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCCCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is RRVSSBAEUHXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-2-3-4-7-16-8-5-6-10(9-16)11-12-14-15-13-11/h6H,2-5,7-9H2,1H3,(H,12,13,14,15).
What are the key properties of 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 221.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).