2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine

C10H18N4 — CID 84720379

IUPAC2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine
SMILESCCn1nnc2c1CCCC2CCN
InChIInChI=1S/C10H18N4/c1-2-14-9-5-3-4-8(6-7-11)10(9)12-13-14/h8H,2-7,11H2,1H3
InChIKeyIOWHHEZMEINOIZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds3

About 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine

2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine (PubChem CID 84720379) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine
PubChem CID84720379
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine
SMILESCCn1nnc2c1CCCC2CCN
InChIInChI=1S/C10H18N4/c1-2-14-9-5-3-4-8(6-7-11)10(9)12-13-14/h8H,2-7,11H2,1H3
InChIKeyIOWHHEZMEINOIZ-UHFFFAOYSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine (CID 84720379) is 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine is CCn1nnc2c1CCCC2CCN.
What is the InChIKey of 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine?
The InChIKey is IOWHHEZMEINOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-14-9-5-3-4-8(6-7-11)10(9)12-13-14/h8H,2-7,11H2,1H3.
What are the key properties of 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine?
2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-yl)ethanamine is sourced from PubChem (CID 84720379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).