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

C10H17N5 — CID 82365239

IUPAC1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C10H17N5/c1-2-3-6-15-7-4-5-9(8-15)10-11-13-14-12-10/h5H,2-4,6-8H2,1H3,(H,11,12,13,14)
InChIKeyDLRKFWGBJVVRNA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.09
Rot. Bonds4

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

1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365239) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365239
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C10H17N5/c1-2-3-6-15-7-4-5-9(8-15)10-11-13-14-12-10/h5H,2-4,6-8H2,1H3,(H,11,12,13,14)
InChIKeyDLRKFWGBJVVRNA-UHFFFAOYSA-N
XLogP1.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365239) is 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is DLRKFWGBJVVRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-2-3-6-15-7-4-5-9(8-15)10-11-13-14-12-10/h5H,2-4,6-8H2,1H3,(H,11,12,13,14).
What are the key properties of 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).