1-(1-ethyltriazol-4-yl)ethanamine

C6H12N4 — CID 84762620

IUPAC1-(1-ethyltriazol-4-yl)ethanamine
SMILESCCn1cc(C(C)N)nn1
InChIInChI=1S/C6H12N4/c1-3-10-4-6(5(2)7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyUBQBOKVUMDZBQX-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.32
Rot. Bonds2

About 1-(1-ethyltriazol-4-yl)ethanamine

1-(1-ethyltriazol-4-yl)ethanamine (PubChem CID 84762620) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1-ethyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethyltriazol-4-yl)ethanamine
PubChem CID84762620
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(1-ethyltriazol-4-yl)ethanamine
SMILESCCn1cc(C(C)N)nn1
InChIInChI=1S/C6H12N4/c1-3-10-4-6(5(2)7)8-9-10/h4-5H,3,7H2,1-2H3
InChIKeyUBQBOKVUMDZBQX-UHFFFAOYSA-N
XLogP0.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(1-ethyltriazol-4-yl)ethanamine (CID 84762620) is 1-(1-ethyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-ethyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-ethyltriazol-4-yl)ethanamine is CCn1cc(C(C)N)nn1.
What is the InChIKey of 1-(1-ethyltriazol-4-yl)ethanamine?
The InChIKey is UBQBOKVUMDZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-10-4-6(5(2)7)8-9-10/h4-5H,3,7H2,1-2H3.
What are the key properties of 1-(1-ethyltriazol-4-yl)ethanamine?
1-(1-ethyltriazol-4-yl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyltriazol-4-yl)ethanamine is sourced from PubChem (CID 84762620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).