(5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone

C8H12N4O2 — CID 130834442

IUPAC(5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCC1CC(C(=O)c2nnn(C)n2)CO1
InChIInChI=1S/C8H12N4O2/c1-5-3-6(4-14-5)7(13)8-9-11-12(2)10-8/h5-6H,3-4H2,1-2H3
InChIKeyBWDSWKKWUKTPLN-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.18
Rot. Bonds2

About (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone

(5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130834442) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130834442
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCC1CC(C(=O)c2nnn(C)n2)CO1
InChIInChI=1S/C8H12N4O2/c1-5-3-6(4-14-5)7(13)8-9-11-12(2)10-8/h5-6H,3-4H2,1-2H3
InChIKeyBWDSWKKWUKTPLN-UHFFFAOYSA-N
XLogP-0.18
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone (CID 130834442) is (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone is CC1CC(C(=O)c2nnn(C)n2)CO1.
What is the InChIKey of (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is BWDSWKKWUKTPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-3-6(4-14-5)7(13)8-9-11-12(2)10-8/h5-6H,3-4H2,1-2H3.
What are the key properties of (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone?
(5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 196.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130834442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).