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

C11H13N5O — CID 84794327

IUPAC2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C11H13N5O/c1-8(12)10(17)11-13-15-16(14-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyKCJFAUSWFBHOMQ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.25
Rot. Bonds4

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

2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one (PubChem CID 84794327) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one
PubChem CID84794327
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one
SMILESCC(N)C(=O)c1nnn(Cc2ccccc2)n1
InChIInChI=1S/C11H13N5O/c1-8(12)10(17)11-13-15-16(14-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3
InChIKeyKCJFAUSWFBHOMQ-UHFFFAOYSA-N
XLogP0.25
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one (CID 84794327) is 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one is CC(N)C(=O)c1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one?
The InChIKey is KCJFAUSWFBHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(12)10(17)11-13-15-16(14-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3.
What are the key properties of 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one?
2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one has a molecular weight of 231.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-benzyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 84794327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).