1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone

C11H13N5O — CID 107061734

IUPAC1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N5O/c1-16-14-11(13-15-16)6-10(17)9-4-2-8(7-12)3-5-9/h2-5H,6-7,12H2,1H3
InChIKeyDZHWZPUOTFGJGO-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.09
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone

1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107061734) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107061734
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C11H13N5O/c1-16-14-11(13-15-16)6-10(17)9-4-2-8(7-12)3-5-9/h2-5H,6-7,12H2,1H3
InChIKeyDZHWZPUOTFGJGO-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063536
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107063236
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107061734) is 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2ccc(CN)cc2)n1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is DZHWZPUOTFGJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-14-11(13-15-16)6-10(17)9-4-2-8(7-12)3-5-9/h2-5H,6-7,12H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 231.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).