3-(5-methylbenzotriazol-1-yl)propane-1,2-diol

C10H13N3O2 — CID 11241215

IUPAC3-(5-methylbenzotriazol-1-yl)propane-1,2-diol
SMILESCc1ccc2c(c1)nnn2CC(O)CO
InChIInChI=1S/C10H13N3O2/c1-7-2-3-10-9(4-7)11-12-13(10)5-8(15)6-14/h2-4,8,14-15H,5-6H2,1H3
InChIKeyPCHSPPOVOYCJRX-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.09
Rot. Bonds3

About 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol

3-(5-methylbenzotriazol-1-yl)propane-1,2-diol (PubChem CID 11241215) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-methylbenzotriazol-1-yl)propane-1,2-diol
PubChem CID11241215
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(5-methylbenzotriazol-1-yl)propane-1,2-diol
SMILESCc1ccc2c(c1)nnn2CC(O)CO
InChIInChI=1S/C10H13N3O2/c1-7-2-3-10-9(4-7)11-12-13(10)5-8(15)6-14/h2-4,8,14-15H,5-6H2,1H3
InChIKeyPCHSPPOVOYCJRX-UHFFFAOYSA-N
XLogP0.09
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol (CID 11241215) is 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol is Cc1ccc2c(c1)nnn2CC(O)CO.
What is the InChIKey of 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol?
The InChIKey is PCHSPPOVOYCJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-2-3-10-9(4-7)11-12-13(10)5-8(15)6-14/h2-4,8,14-15H,5-6H2,1H3.
What are the key properties of 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol?
3-(5-methylbenzotriazol-1-yl)propane-1,2-diol has a molecular weight of 207.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylbenzotriazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 11241215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).