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

C9H15N5 — CID 82365238

IUPAC1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C9H15N5/c1-2-5-14-6-3-4-8(7-14)9-10-12-13-11-9/h4H,2-3,5-7H2,1H3,(H,10,11,12,13)
InChIKeyTUJOIMSIQFWANN-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.70
Rot. Bonds3

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

1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365238) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365238
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C9H15N5/c1-2-5-14-6-3-4-8(7-14)9-10-12-13-11-9/h4H,2-3,5-7H2,1H3,(H,10,11,12,13)
InChIKeyTUJOIMSIQFWANN-UHFFFAOYSA-N
XLogP0.70
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365238) is 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is TUJOIMSIQFWANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-2-5-14-6-3-4-8(7-14)9-10-12-13-11-9/h4H,2-3,5-7H2,1H3,(H,10,11,12,13).
What are the key properties of 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 193.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).