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

C8H13N5O — CID 107062354

IUPAC1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)5-6(14)8(9)3-2-4-8/h2-5,9H2,1H3
InChIKeyGTFNFKRXKRCBGA-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.80
Rot. Bonds3

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

1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062354) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062354
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)5-6(14)8(9)3-2-4-8/h2-5,9H2,1H3
InChIKeyGTFNFKRXKRCBGA-UHFFFAOYSA-N
XLogP-0.80
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 ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047092
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061744
1-(1-Aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061761
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
3-Amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061817
3-Amino-3-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061846
3-Amino-3-cyclopropyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061864
1-(1-Aminocyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061868
3-Amino-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061888
5-Amino-5-methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107062040
4-Amino-3,3,4-trimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107062066

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062354) is 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(N)CCC2)n1.
What is the InChIKey of 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is GTFNFKRXKRCBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-7(10-12-13)5-6(14)8(9)3-2-4-8/h2-5,9H2,1H3.
What are the key properties of 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 195.23 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).