(5-benzyltetrazol-2-yl)methanol

C9H10N4O — CID 13081003

IUPAC(5-benzyltetrazol-2-yl)methanol
SMILESOCn1nnc(Cc2ccccc2)n1
InChIInChI=1S/C9H10N4O/c14-7-13-11-9(10-12-13)6-8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKeyKCLCIVNYHZMXJW-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.21
Rot. Bonds3

About (5-benzyltetrazol-2-yl)methanol

(5-benzyltetrazol-2-yl)methanol (PubChem CID 13081003) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is (5-benzyltetrazol-2-yl)methanol.

Molecular Properties

Compound Name(5-benzyltetrazol-2-yl)methanol
PubChem CID13081003
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name(5-benzyltetrazol-2-yl)methanol
SMILESOCn1nnc(Cc2ccccc2)n1
InChIInChI=1S/C9H10N4O/c14-7-13-11-9(10-12-13)6-8-4-2-1-3-5-8/h1-5,14H,6-7H2
InChIKeyKCLCIVNYHZMXJW-UHFFFAOYSA-N
XLogP0.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-benzyltetrazol-2-yl)methanol?
The IUPAC name of (5-benzyltetrazol-2-yl)methanol (CID 13081003) is (5-benzyltetrazol-2-yl)methanol.
What is the SMILES notation for (5-benzyltetrazol-2-yl)methanol?
The canonical SMILES for (5-benzyltetrazol-2-yl)methanol is OCn1nnc(Cc2ccccc2)n1.
What is the InChIKey of (5-benzyltetrazol-2-yl)methanol?
The InChIKey is KCLCIVNYHZMXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c14-7-13-11-9(10-12-13)6-8-4-2-1-3-5-8/h1-5,14H,6-7H2.
What are the key properties of (5-benzyltetrazol-2-yl)methanol?
(5-benzyltetrazol-2-yl)methanol has a molecular weight of 190.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyltetrazol-2-yl)methanol is sourced from PubChem (CID 13081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).