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

C7H11N5O — CID 130855541

IUPAC2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(C(=O)C(N)C2CC2)n1
InChIInChI=1S/C7H11N5O/c1-12-10-7(9-11-12)6(13)5(8)4-2-3-4/h4-5H,2-3,8H2,1H3
InChIKeyBOPRLVMLTCTIMY-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.87
Rot. Bonds3

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

2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone (PubChem CID 130855541) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
PubChem CID130855541
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(C(=O)C(N)C2CC2)n1
InChIInChI=1S/C7H11N5O/c1-12-10-7(9-11-12)6(13)5(8)4-2-3-4/h4-5H,2-3,8H2,1H3
InChIKeyBOPRLVMLTCTIMY-UHFFFAOYSA-N
XLogP-0.87
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone (CID 130855541) is 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(C(=O)C(N)C2CC2)n1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is BOPRLVMLTCTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-10-7(9-11-12)6(13)5(8)4-2-3-4/h4-5H,2-3,8H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone?
2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 181.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 130855541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).