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

C7H10N4O — CID 11378701

IUPAC1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC2)n1
InChIInChI=1S/C7H10N4O/c1-11-9-7(8-10-11)4-6(12)5-2-3-5/h5H,2-4H2,1H3
InChIKeyOCPPFUTXYGUXNT-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.27
Rot. Bonds3

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

1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 11378701) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID11378701
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC2)n1
InChIInChI=1S/C7H10N4O/c1-11-9-7(8-10-11)4-6(12)5-2-3-5/h5H,2-4H2,1H3
InChIKeyOCPPFUTXYGUXNT-UHFFFAOYSA-N
XLogP-0.27
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone (CID 11378701) is 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is OCPPFUTXYGUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11-9-7(8-10-11)4-6(12)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone?
1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 166.18 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 11378701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).