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

C8H13N5O — CID 130900615

IUPAC2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(C(=O)C(N)C2CCC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)7(14)6(9)5-3-2-4-5/h5-6H,2-4,9H2,1H3
InChIKeyDCDUQIRSMXEKKZ-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.48
Rot. Bonds3

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

2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone (PubChem CID 130900615) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone
PubChem CID130900615
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(C(=O)C(N)C2CCC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-8(10-12-13)7(14)6(9)5-3-2-4-5/h5-6H,2-4,9H2,1H3
InChIKeyDCDUQIRSMXEKKZ-UHFFFAOYSA-N
XLogP-0.48
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-1-(2-methyltetrazol-5-yl)butan-1-one
CID 10352341
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061744
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061789
3-Amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061801
7-Amino-3-methyl-1-(2-methyltetrazol-5-yl)octan-2-one
CID 107062075
3-(Aminomethyl)-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062079
1-(2-Aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062141
1-(1-Aminocyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062267
1-(1-Aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062354
4-Amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062452
4-Amino-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107062524
(1-Aminocyclopentyl)-(2-methyltetrazol-5-yl)methanone
CID 127004717

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone (CID 130900615) is 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(C(=O)C(N)C2CCC2)n1.
What is the InChIKey of 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is DCDUQIRSMXEKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-8(10-12-13)7(14)6(9)5-3-2-4-5/h5-6H,2-4,9H2,1H3.
What are the key properties of 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone?
2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 195.23 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclobutyl-1-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 130900615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).