2-(benzotriazol-1-yl)ethyl carbamate

C9H10N4O2 — CID 25813

IUPAC2-(benzotriazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c10-9(14)15-6-5-13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2,(H2,10,14)
InChIKeyPCXQCSOAKLWZIF-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.53
Rot. Bonds3

About 2-(benzotriazol-1-yl)ethyl carbamate

2-(benzotriazol-1-yl)ethyl carbamate (PubChem CID 25813) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)ethyl carbamate
PubChem CID25813
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-(benzotriazol-1-yl)ethyl carbamate
SMILESNC(=O)OCCn1nnc2ccccc21
InChIInChI=1S/C9H10N4O2/c10-9(14)15-6-5-13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2,(H2,10,14)
InChIKeyPCXQCSOAKLWZIF-UHFFFAOYSA-N
XLogP0.53
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)ethyl carbamate?
The IUPAC name of 2-(benzotriazol-1-yl)ethyl carbamate (CID 25813) is 2-(benzotriazol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(benzotriazol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(benzotriazol-1-yl)ethyl carbamate is NC(=O)OCCn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)ethyl carbamate?
The InChIKey is PCXQCSOAKLWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-9(14)15-6-5-13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2,(H2,10,14).
What are the key properties of 2-(benzotriazol-1-yl)ethyl carbamate?
2-(benzotriazol-1-yl)ethyl carbamate has a molecular weight of 206.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)ethyl carbamate is sourced from PubChem (CID 25813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).