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

C8H13N5O — CID 82365250

IUPAC1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCOCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C8H13N5O/c1-14-6-13-4-2-3-7(5-13)8-9-11-12-10-8/h3H,2,4-6H2,1H3,(H,9,10,11,12)
InChIKeyWJNCJMVPCMMCRZ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.11
Rot. Bonds3

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

1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 82365250) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID82365250
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCOCN1CCC=C(c2nn[nH]n2)C1
InChIInChI=1S/C8H13N5O/c1-14-6-13-4-2-3-7(5-13)8-9-11-12-10-8/h3H,2,4-6H2,1H3,(H,9,10,11,12)
InChIKeyWJNCJMVPCMMCRZ-UHFFFAOYSA-N
XLogP-0.11
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 82365250) is 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is COCN1CCC=C(c2nn[nH]n2)C1.
What is the InChIKey of 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is WJNCJMVPCMMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-14-6-13-4-2-3-7(5-13)8-9-11-12-10-8/h3H,2,4-6H2,1H3,(H,9,10,11,12).
What are the key properties of 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 195.23 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 82365250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).