2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol

C13H18N4O — CID 107046106

IUPAC2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCCC(O)(Cc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C13H18N4O/c1-3-13(18,9-11-7-5-4-6-8-11)10-12-14-16-17(2)15-12/h4-8,18H,3,9-10H2,1-2H3
InChIKeyGBLZPLVVCZYGDS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.14
Rot. Bonds5

About 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol

2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol (PubChem CID 107046106) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol
PubChem CID107046106
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCCC(O)(Cc1ccccc1)Cc1nnn(C)n1
InChIInChI=1S/C13H18N4O/c1-3-13(18,9-11-7-5-4-6-8-11)10-12-14-16-17(2)15-12/h4-8,18H,3,9-10H2,1-2H3
InChIKeyGBLZPLVVCZYGDS-UHFFFAOYSA-N
XLogP1.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The IUPAC name of 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol (CID 107046106) is 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol.
What is the SMILES notation for 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The canonical SMILES for 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol is CCC(O)(Cc1ccccc1)Cc1nnn(C)n1.
What is the InChIKey of 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The InChIKey is GBLZPLVVCZYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-13(18,9-11-7-5-4-6-8-11)10-12-14-16-17(2)15-12/h4-8,18H,3,9-10H2,1-2H3.
What are the key properties of 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-methyltetrazol-5-yl)butan-2-ol is sourced from PubChem (CID 107046106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).