2-(3-methylbenzotriazol-5-yl)propan-2-ol

C10H13N3O — CID 117282413

IUPAC2-(3-methylbenzotriazol-5-yl)propan-2-ol
SMILESCn1nnc2ccc(C(C)(C)O)cc21
InChIInChI=1S/C10H13N3O/c1-10(2,14)7-4-5-8-9(6-7)13(3)12-11-8/h4-6,14H,1-3H3
InChIKeyFZYQUJAVLNVTKB-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.20
Rot. Bonds1

About 2-(3-methylbenzotriazol-5-yl)propan-2-ol

2-(3-methylbenzotriazol-5-yl)propan-2-ol (PubChem CID 117282413) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(3-methylbenzotriazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methylbenzotriazol-5-yl)propan-2-ol
PubChem CID117282413
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(3-methylbenzotriazol-5-yl)propan-2-ol
SMILESCn1nnc2ccc(C(C)(C)O)cc21
InChIInChI=1S/C10H13N3O/c1-10(2,14)7-4-5-8-9(6-7)13(3)12-11-8/h4-6,14H,1-3H3
InChIKeyFZYQUJAVLNVTKB-UHFFFAOYSA-N
XLogP1.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzotriazol-5-yl)propan-2-ol?
The IUPAC name of 2-(3-methylbenzotriazol-5-yl)propan-2-ol (CID 117282413) is 2-(3-methylbenzotriazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methylbenzotriazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(3-methylbenzotriazol-5-yl)propan-2-ol is Cn1nnc2ccc(C(C)(C)O)cc21.
What is the InChIKey of 2-(3-methylbenzotriazol-5-yl)propan-2-ol?
The InChIKey is FZYQUJAVLNVTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,14)7-4-5-8-9(6-7)13(3)12-11-8/h4-6,14H,1-3H3.
What are the key properties of 2-(3-methylbenzotriazol-5-yl)propan-2-ol?
2-(3-methylbenzotriazol-5-yl)propan-2-ol has a molecular weight of 191.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzotriazol-5-yl)propan-2-ol is sourced from PubChem (CID 117282413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).