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

C11H19N5 — CID 19612505

IUPAC1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCC1CC=C(c2nnn(C(C)C)n2)CN1C
InChIInChI=1S/C11H19N5/c1-8(2)16-13-11(12-14-16)10-6-5-9(3)15(4)7-10/h6,8-9H,5,7H2,1-4H3
InChIKeyBJHCLFQHIIFIBQ-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.36
Rot. Bonds2

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

1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 19612505) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID19612505
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCC1CC=C(c2nnn(C(C)C)n2)CN1C
InChIInChI=1S/C11H19N5/c1-8(2)16-13-11(12-14-16)10-6-5-9(3)15(4)7-10/h6,8-9H,5,7H2,1-4H3
InChIKeyBJHCLFQHIIFIBQ-UHFFFAOYSA-N
XLogP1.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 19612505) is 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine is CC1CC=C(c2nnn(C(C)C)n2)CN1C.
What is the InChIKey of 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is BJHCLFQHIIFIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8(2)16-13-11(12-14-16)10-6-5-9(3)15(4)7-10/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 221.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(2-propan-2-yltetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19612505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).