1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one

C8H12N4O3 — CID 107063454

IUPAC1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2OCCO2)n1
InChIInChI=1S/C8H12N4O3/c1-12-10-7(9-11-12)4-6(13)5-8-14-2-3-15-8/h8H,2-5H2,1H3
InChIKeyAEJZHYNROMSYBQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.92
Rot. Bonds4

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

1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107063454) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107063454
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2OCCO2)n1
InChIInChI=1S/C8H12N4O3/c1-12-10-7(9-11-12)4-6(13)5-8-14-2-3-15-8/h8H,2-5H2,1H3
InChIKeyAEJZHYNROMSYBQ-UHFFFAOYSA-N
XLogP-0.92
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063602
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107063454) is 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)CC2OCCO2)n1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is AEJZHYNROMSYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-12-10-7(9-11-12)4-6(13)5-8-14-2-3-15-8/h8H,2-5H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one?
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 212.21 g/mol, XLogP of -0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107063454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).