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

C9H14N4O2 — CID 107046861

IUPAC1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)6-7(14)5-8-3-2-4-15-8/h8H,2-6H2,1H3
InChIKeyJVRZZNMZSUJWQF-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.11
Rot. Bonds4

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

1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one (PubChem CID 107046861) 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-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
PubChem CID107046861
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)6-7(14)5-8-3-2-4-15-8/h8H,2-6H2,1H3
InChIKeyJVRZZNMZSUJWQF-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047451
1-(2-Methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-one
CID 107047453
2-(2-Methyltetrazol-5-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
CID 107063194
5-Methoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107063292
1-(5-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063298
1-(2-Methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one
CID 107063351
2-(2-Methyltetrazol-5-yl)-1-(oxan-2-yl)ethanone
CID 107063352
1-(5-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063451
1-(2-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063490
1-(2-Methyltetrazol-5-yl)-4-(oxolan-2-yl)butan-2-one
CID 107063507

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one (CID 107046861) is 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one is Cn1nnc(CC(=O)CC2CCCO2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one?
The InChIKey is JVRZZNMZSUJWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)6-7(14)5-8-3-2-4-15-8/h8H,2-6H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one?
1-(2-methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.11, 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-2-yl)propan-2-one is sourced from PubChem (CID 107046861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).