5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one

C8H15N5O — CID 107061830

IUPAC5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCNCCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-9-5-3-4-7(14)6-8-10-12-13(2)11-8/h9H,3-6H2,1-2H3
InChIKeyMCLHASNRWNHLJM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.68
Rot. Bonds6

About 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one

5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107061830) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107061830
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCNCCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C8H15N5O/c1-9-5-3-4-7(14)6-8-10-12-13(2)11-8/h9H,3-6H2,1-2H3
InChIKeyMCLHASNRWNHLJM-UHFFFAOYSA-N
XLogP-0.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107061830) is 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one is CNCCCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is MCLHASNRWNHLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-9-5-3-4-7(14)6-8-10-12-13(2)11-8/h9H,3-6H2,1-2H3.
What are the key properties of 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one?
5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107061830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).