3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine

C8H14N4 — CID 84717166

IUPAC3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
SMILESCCn1nnc2c1CC(N)CC2
InChIInChI=1S/C8H14N4/c1-2-12-8-5-6(9)3-4-7(8)10-11-12/h6H,2-5,9H2,1H3
InChIKeyFGUJJFMAUPWJBU-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.11
Rot. Bonds1

About 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine

3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine (PubChem CID 84717166) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine.

Molecular Properties

Compound Name3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
PubChem CID84717166
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
SMILESCCn1nnc2c1CC(N)CC2
InChIInChI=1S/C8H14N4/c1-2-12-8-5-6(9)3-4-7(8)10-11-12/h6H,2-5,9H2,1H3
InChIKeyFGUJJFMAUPWJBU-UHFFFAOYSA-N
XLogP0.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The IUPAC name of 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine (CID 84717166) is 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine.
What is the SMILES notation for 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The canonical SMILES for 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine is CCn1nnc2c1CC(N)CC2.
What is the InChIKey of 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
The InChIKey is FGUJJFMAUPWJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-12-8-5-6(9)3-4-7(8)10-11-12/h6H,2-5,9H2,1H3.
What are the key properties of 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine?
3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine has a molecular weight of 166.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine is sourced from PubChem (CID 84717166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).