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

C4H6N4O — CID 45085223

IUPAC1-(2-methyltetrazol-5-yl)ethanone
SMILESCC(=O)c1nnn(C)n1
InChIInChI=1S/C4H6N4O/c1-3(9)4-5-7-8(2)6-4/h1-2H3
InChIKeyJBLVKBDNCAFZAV-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.59
Rot. Bonds1

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

1-(2-methyltetrazol-5-yl)ethanone (PubChem CID 45085223) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)ethanone
PubChem CID45085223
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1-(2-methyltetrazol-5-yl)ethanone
SMILESCC(=O)c1nnn(C)n1
InChIInChI=1S/C4H6N4O/c1-3(9)4-5-7-8(2)6-4/h1-2H3
InChIKeyJBLVKBDNCAFZAV-UHFFFAOYSA-N
XLogP-0.59
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyltetrazol-5-yl)ethanone (CID 45085223) is 1-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)ethanone is CC(=O)c1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is JBLVKBDNCAFZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-3(9)4-5-7-8(2)6-4/h1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)ethanone?
1-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 126.12 g/mol, XLogP of -0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 45085223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).