2-(2-ethylbenzotriazol-5-yl)ethanamine

C10H14N4 — CID 84719598

IUPAC2-(2-ethylbenzotriazol-5-yl)ethanamine
SMILESCCn1nc2ccc(CCN)cc2n1
InChIInChI=1S/C10H14N4/c1-2-14-12-9-4-3-8(5-6-11)7-10(9)13-14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyYWXFAIICALAASU-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.95
Rot. Bonds3

About 2-(2-ethylbenzotriazol-5-yl)ethanamine

2-(2-ethylbenzotriazol-5-yl)ethanamine (PubChem CID 84719598) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-ethylbenzotriazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylbenzotriazol-5-yl)ethanamine
PubChem CID84719598
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(2-ethylbenzotriazol-5-yl)ethanamine
SMILESCCn1nc2ccc(CCN)cc2n1
InChIInChI=1S/C10H14N4/c1-2-14-12-9-4-3-8(5-6-11)7-10(9)13-14/h3-4,7H,2,5-6,11H2,1H3
InChIKeyYWXFAIICALAASU-UHFFFAOYSA-N
XLogP0.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzotriazol-5-yl)ethanamine?
The IUPAC name of 2-(2-ethylbenzotriazol-5-yl)ethanamine (CID 84719598) is 2-(2-ethylbenzotriazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-ethylbenzotriazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-ethylbenzotriazol-5-yl)ethanamine is CCn1nc2ccc(CCN)cc2n1.
What is the InChIKey of 2-(2-ethylbenzotriazol-5-yl)ethanamine?
The InChIKey is YWXFAIICALAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-14-12-9-4-3-8(5-6-11)7-10(9)13-14/h3-4,7H,2,5-6,11H2,1H3.
What are the key properties of 2-(2-ethylbenzotriazol-5-yl)ethanamine?
2-(2-ethylbenzotriazol-5-yl)ethanamine has a molecular weight of 190.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzotriazol-5-yl)ethanamine is sourced from PubChem (CID 84719598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).