1-amino-3-(2-methyltetrazol-5-yl)propan-2-one

C5H9N5O — CID 107061738

IUPAC1-amino-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CN)n1
InChIInChI=1S/C5H9N5O/c1-10-8-5(7-9-10)2-4(11)3-6/h2-3,6H2,1H3
InChIKeyAHADKKNLXSHHPJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.72
Rot. Bonds3

About 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one

1-amino-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107061738) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107061738
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name1-amino-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)CN)n1
InChIInChI=1S/C5H9N5O/c1-10-8-5(7-9-10)2-4(11)3-6/h2-3,6H2,1H3
InChIKeyAHADKKNLXSHHPJ-UHFFFAOYSA-N
XLogP-1.72
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107061738) is 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)CN)n1.
What is the InChIKey of 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is AHADKKNLXSHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10-8-5(7-9-10)2-4(11)3-6/h2-3,6H2,1H3.
What are the key properties of 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one?
1-amino-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 155.16 g/mol, XLogP of -1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107061738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).