1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one

C9H14N4O2 — CID 107047444

IUPAC1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCOC2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)5-8(14)4-7-2-3-15-6-7/h7H,2-6H2,1H3
InChIKeyZQSIODYXAVXAEX-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one

1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one (PubChem CID 107047444) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
PubChem CID107047444
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCOC2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)5-8(14)4-7-2-3-15-6-7/h7H,2-6H2,1H3
InChIKeyZQSIODYXAVXAEX-UHFFFAOYSA-N
XLogP-0.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one (CID 107047444) is 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one is Cn1nnc(CC(=O)CC2CCOC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
The InChIKey is ZQSIODYXAVXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)5-8(14)4-7-2-3-15-6-7/h7H,2-6H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one?
1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one is sourced from PubChem (CID 107047444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).