2-(2-ethylbutyl)triazol-4-amine

C8H16N4 — CID 165481404

IUPAC2-(2-ethylbutyl)triazol-4-amine
SMILESCCC(CC)Cn1ncc(N)n1
InChIInChI=1S/C8H16N4/c1-3-7(4-2)6-12-10-5-8(9)11-12/h5,7H,3-4,6H2,1-2H3,(H2,9,11)
InChIKeyBRUDEBBSKCSEIB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.30
Rot. Bonds4

About 2-(2-ethylbutyl)triazol-4-amine

2-(2-ethylbutyl)triazol-4-amine (PubChem CID 165481404) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-ethylbutyl)triazol-4-amine.

Molecular Properties

Compound Name2-(2-ethylbutyl)triazol-4-amine
PubChem CID165481404
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(2-ethylbutyl)triazol-4-amine
SMILESCCC(CC)Cn1ncc(N)n1
InChIInChI=1S/C8H16N4/c1-3-7(4-2)6-12-10-5-8(9)11-12/h5,7H,3-4,6H2,1-2H3,(H2,9,11)
InChIKeyBRUDEBBSKCSEIB-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)triazol-4-amine?
The IUPAC name of 2-(2-ethylbutyl)triazol-4-amine (CID 165481404) is 2-(2-ethylbutyl)triazol-4-amine.
What is the SMILES notation for 2-(2-ethylbutyl)triazol-4-amine?
The canonical SMILES for 2-(2-ethylbutyl)triazol-4-amine is CCC(CC)Cn1ncc(N)n1.
What is the InChIKey of 2-(2-ethylbutyl)triazol-4-amine?
The InChIKey is BRUDEBBSKCSEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-7(4-2)6-12-10-5-8(9)11-12/h5,7H,3-4,6H2,1-2H3,(H2,9,11).
What are the key properties of 2-(2-ethylbutyl)triazol-4-amine?
2-(2-ethylbutyl)triazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)triazol-4-amine is sourced from PubChem (CID 165481404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).