8-amino-1-(2-methyltetrazol-5-yl)octan-2-one

C10H19N5O — CID 107061774

IUPAC8-amino-1-(2-methyltetrazol-5-yl)octan-2-one
SMILESCn1nnc(CC(=O)CCCCCCN)n1
InChIInChI=1S/C10H19N5O/c1-15-13-10(12-14-15)8-9(16)6-4-2-3-5-7-11/h2-8,11H2,1H3
InChIKeyXGUXIBCXHWHXJC-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.23
Rot. Bonds8

About 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one

8-amino-1-(2-methyltetrazol-5-yl)octan-2-one (PubChem CID 107061774) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one.

Molecular Properties

Compound Name8-amino-1-(2-methyltetrazol-5-yl)octan-2-one
PubChem CID107061774
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name8-amino-1-(2-methyltetrazol-5-yl)octan-2-one
SMILESCn1nnc(CC(=O)CCCCCCN)n1
InChIInChI=1S/C10H19N5O/c1-15-13-10(12-14-15)8-9(16)6-4-2-3-5-7-11/h2-8,11H2,1H3
InChIKeyXGUXIBCXHWHXJC-UHFFFAOYSA-N
XLogP0.23
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.23
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 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one?
The IUPAC name of 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one (CID 107061774) is 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one.
What is the SMILES notation for 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one?
The canonical SMILES for 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one is Cn1nnc(CC(=O)CCCCCCN)n1.
What is the InChIKey of 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one?
The InChIKey is XGUXIBCXHWHXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-15-13-10(12-14-15)8-9(16)6-4-2-3-5-7-11/h2-8,11H2,1H3.
What are the key properties of 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one?
8-amino-1-(2-methyltetrazol-5-yl)octan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(2-methyltetrazol-5-yl)octan-2-one is sourced from PubChem (CID 107061774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).