2-amino-2-(1-methylbenzotriazol-4-yl)ethanol

C9H12N4O — CID 83878061

IUPAC2-amino-2-(1-methylbenzotriazol-4-yl)ethanol
SMILESCn1nnc2c(C(N)CO)cccc21
InChIInChI=1S/C9H12N4O/c1-13-8-4-2-3-6(7(10)5-14)9(8)11-12-13/h2-4,7,14H,5,10H2,1H3
InChIKeyYIIIRMIJEJYPJP-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.04
Rot. Bonds2

About 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol

2-amino-2-(1-methylbenzotriazol-4-yl)ethanol (PubChem CID 83878061) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1-methylbenzotriazol-4-yl)ethanol
PubChem CID83878061
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-amino-2-(1-methylbenzotriazol-4-yl)ethanol
SMILESCn1nnc2c(C(N)CO)cccc21
InChIInChI=1S/C9H12N4O/c1-13-8-4-2-3-6(7(10)5-14)9(8)11-12-13/h2-4,7,14H,5,10H2,1H3
InChIKeyYIIIRMIJEJYPJP-UHFFFAOYSA-N
XLogP-0.04
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol (CID 83878061) is 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol is Cn1nnc2c(C(N)CO)cccc21.
What is the InChIKey of 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol?
The InChIKey is YIIIRMIJEJYPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13-8-4-2-3-6(7(10)5-14)9(8)11-12-13/h2-4,7,14H,5,10H2,1H3.
What are the key properties of 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol?
2-amino-2-(1-methylbenzotriazol-4-yl)ethanol has a molecular weight of 192.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylbenzotriazol-4-yl)ethanol is sourced from PubChem (CID 83878061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).