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

C8H12N4O2 — CID 131071181

IUPAC(3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCC1CCOC1C(=O)c1nnn(C)n1
InChIInChI=1S/C8H12N4O2/c1-5-3-4-14-7(5)6(13)8-9-11-12(2)10-8/h5,7H,3-4H2,1-2H3
InChIKeyWPAWAQMNVVPAME-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.18
Rot. Bonds2

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

(3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 131071181) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone
PubChem CID131071181
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone
SMILESCC1CCOC1C(=O)c1nnn(C)n1
InChIInChI=1S/C8H12N4O2/c1-5-3-4-14-7(5)6(13)8-9-11-12(2)10-8/h5,7H,3-4H2,1-2H3
InChIKeyWPAWAQMNVVPAME-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 (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone (CID 131071181) is (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone is CC1CCOC1C(=O)c1nnn(C)n1.
What is the InChIKey of (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is WPAWAQMNVVPAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-3-4-14-7(5)6(13)8-9-11-12(2)10-8/h5,7H,3-4H2,1-2H3.
What are the key properties of (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone?
(3-methyloxolan-2-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 (3-methyloxolan-2-yl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 131071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).