[1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone

C8H13N5O — CID 130758288

IUPAC[1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone
SMILESCNC1(C(=O)c2nnn(C)n2)CCC1
InChIInChI=1S/C8H13N5O/c1-9-8(4-3-5-8)6(14)7-10-12-13(2)11-7/h9H,3-5H2,1-2H3
InChIKeyRWWNJKIEPIPOSA-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.47
Rot. Bonds3

About [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone

[1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone (PubChem CID 130758288) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone
PubChem CID130758288
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name[1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone
SMILESCNC1(C(=O)c2nnn(C)n2)CCC1
InChIInChI=1S/C8H13N5O/c1-9-8(4-3-5-8)6(14)7-10-12-13(2)11-7/h9H,3-5H2,1-2H3
InChIKeyRWWNJKIEPIPOSA-UHFFFAOYSA-N
XLogP-0.47
TPSA72.70 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 ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-3-(methylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107061978
(1-Aminocyclobutyl)-(2-methyltetrazol-5-yl)methanone
CID 130758275
2-Methyl-2-(methylamino)-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130834256
(2-Methylpiperidin-2-yl)-(2-methyltetrazol-5-yl)methanone
CID 130847652
(2-Ethylpyrrolidin-2-yl)-(2-methyltetrazol-5-yl)methanone
CID 130863364
2-(1-Aminocyclobutyl)-1-(2-methyltetrazol-5-yl)ethanone
CID 130909624

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone (CID 130758288) is [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone is CNC1(C(=O)c2nnn(C)n2)CCC1.
What is the InChIKey of [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone?
The InChIKey is RWWNJKIEPIPOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-9-8(4-3-5-8)6(14)7-10-12-13(2)11-7/h9H,3-5H2,1-2H3.
What are the key properties of [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone?
[1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone has a molecular weight of 195.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)cyclobutyl]-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130758288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).