1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone

C6H8N4O — CID 11446445

IUPAC1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone
SMILESO=C(Cc1nn[nH]n1)C1CC1
InChIInChI=1S/C6H8N4O/c11-5(4-1-2-4)3-6-7-9-10-8-6/h4H,1-3H2,(H,7,8,9,10)
InChIKeyQAYAHWAJPBEGDY-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.28
Rot. Bonds3

About 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone

1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone (PubChem CID 11446445) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone
PubChem CID11446445
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone
SMILESO=C(Cc1nn[nH]n1)C1CC1
InChIInChI=1S/C6H8N4O/c11-5(4-1-2-4)3-6-7-9-10-8-6/h4H,1-3H2,(H,7,8,9,10)
InChIKeyQAYAHWAJPBEGDY-UHFFFAOYSA-N
XLogP-0.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone (CID 11446445) is 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone is O=C(Cc1nn[nH]n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone?
The InChIKey is QAYAHWAJPBEGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-5(4-1-2-4)3-6-7-9-10-8-6/h4H,1-3H2,(H,7,8,9,10).
What are the key properties of 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone?
1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone has a molecular weight of 152.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 11446445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).