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

C5H9N5O — CID 84650135

IUPAC2-amino-1-(1-methyltetrazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1nnnn1C
InChIInChI=1S/C5H9N5O/c1-3(6)4(11)5-7-8-9-10(5)2/h3H,6H2,1-2H3
InChIKeyPYGXZTDMLUUTBN-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.26
Rot. Bonds2

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

2-amino-1-(1-methyltetrazol-5-yl)propan-1-one (PubChem CID 84650135) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-methyltetrazol-5-yl)propan-1-one
PubChem CID84650135
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-amino-1-(1-methyltetrazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1nnnn1C
InChIInChI=1S/C5H9N5O/c1-3(6)4(11)5-7-8-9-10(5)2/h3H,6H2,1-2H3
InChIKeyPYGXZTDMLUUTBN-UHFFFAOYSA-N
XLogP-1.26
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one (CID 84650135) is 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one is CC(N)C(=O)c1nnnn1C.
What is the InChIKey of 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one?
The InChIKey is PYGXZTDMLUUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-3(6)4(11)5-7-8-9-10(5)2/h3H,6H2,1-2H3.
What are the key properties of 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one?
2-amino-1-(1-methyltetrazol-5-yl)propan-1-one has a molecular weight of 155.16 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 84650135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).