1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

C9H14N4O2 — CID 107063208

IUPAC1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCOC1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-3-4-15-9(6)7(14)5-8-10-12-13(2)11-8/h6,9H,3-5H2,1-2H3
InChIKeyNVFKQBUSAJQPOP-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds3

About 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063208) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063208
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCOC1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-3-4-15-9(6)7(14)5-8-10-12-13(2)11-8/h6,9H,3-5H2,1-2H3
InChIKeyNVFKQBUSAJQPOP-UHFFFAOYSA-N
XLogP-0.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 147406239
1-(2-Ethyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 105743941
2-(2-Methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanone
CID 107047124
2-(2-Methyltetrazol-5-yl)-1-(oxan-3-yl)ethanone
CID 107047134
1-(2-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047316
1-(2-Methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047353
1-(2-Methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 107047444
3-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047489
3-Ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047491
1-Cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047493
1-Cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047496
3-Ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047509

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063208) is 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is CC1CCOC1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is NVFKQBUSAJQPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-3-4-15-9(6)7(14)5-8-10-12-13(2)11-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).