1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone

C17H16N4O2 — CID 161071002

IUPAC1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Cn2nnnc2Cc2ccccc2)cc1
InChIInChI=1S/C17H16N4O2/c22-12-16(23)15-8-6-14(7-9-15)11-21-17(18-19-20-21)10-13-4-2-1-3-5-13/h1-9,22H,10-12H2
InChIKeyUEQQPEWXPKSTSS-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.49
Rot. Bonds6

About 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone

1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone (PubChem CID 161071002) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
PubChem CID161071002
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Cn2nnnc2Cc2ccccc2)cc1
InChIInChI=1S/C17H16N4O2/c22-12-16(23)15-8-6-14(7-9-15)11-21-17(18-19-20-21)10-13-4-2-1-3-5-13/h1-9,22H,10-12H2
InChIKeyUEQQPEWXPKSTSS-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone (CID 161071002) is 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone is O=C(CO)c1ccc(Cn2nnnc2Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone?
The InChIKey is UEQQPEWXPKSTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-12-16(23)15-8-6-14(7-9-15)11-21-17(18-19-20-21)10-13-4-2-1-3-5-13/h1-9,22H,10-12H2.
What are the key properties of 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone?
1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone has a molecular weight of 308.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 161071002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).