2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one

C11H13N5O — CID 84794333

IUPAC2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C11H13N5O/c1-7(12)10(17)8-3-5-9(6-4-8)11-13-15-16(2)14-11/h3-7H,12H2,1-2H3
InChIKeyAXVBGSMMXHHNNI-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one

2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one (PubChem CID 84794333) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
PubChem CID84794333
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
SMILESCC(N)C(=O)c1ccc(-c2nnn(C)n2)cc1
InChIInChI=1S/C11H13N5O/c1-7(12)10(17)8-3-5-9(6-4-8)11-13-15-16(2)14-11/h3-7H,12H2,1-2H3
InChIKeyAXVBGSMMXHHNNI-UHFFFAOYSA-N
XLogP0.41
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697
4-[4-(2-methyltetrazol-5-yl)phenyl]butan-2-one
CID 22087183
4-(2-methyltetrazol-5-yl)benzenesulfonyl chloride
CID 84806034
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
N-(2-hydroxypropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
CID 75605546
2-[[4-(2-methyltetrazol-5-yl)phenyl]sulfinyloxyamino]propanoic acid
CID 54174212
(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135089318
5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole
CID 141138744
5-(4-isocyanatophenyl)-2-methyltetrazole
CID 169353166
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one (CID 84794333) is 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one is CC(N)C(=O)c1ccc(-c2nnn(C)n2)cc1.
What is the InChIKey of 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one?
The InChIKey is AXVBGSMMXHHNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(12)10(17)8-3-5-9(6-4-8)11-13-15-16(2)14-11/h3-7H,12H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one?
2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one has a molecular weight of 231.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 84794333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).