5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C11H19N5 — CID 10082239

IUPAC5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCn1nnc(C2=CCCN(C(C)C)C2)n1
InChIInChI=1S/C11H19N5/c1-4-16-13-11(12-14-16)10-6-5-7-15(8-10)9(2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyRQAOVOFARPHOBF-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.19
Rot. Bonds3

About 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 10082239) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID10082239
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCn1nnc(C2=CCCN(C(C)C)C2)n1
InChIInChI=1S/C11H19N5/c1-4-16-13-11(12-14-16)10-6-5-7-15(8-10)9(2)3/h6,9H,4-5,7-8H2,1-3H3
InChIKeyRQAOVOFARPHOBF-UHFFFAOYSA-N
XLogP1.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 10082239) is 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CCn1nnc(C2=CCCN(C(C)C)C2)n1.
What is the InChIKey of 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is RQAOVOFARPHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-16-13-11(12-14-16)10-6-5-7-15(8-10)9(2)3/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 221.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyltetrazol-5-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10082239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).