1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine

C8H14N4 — CID 158908941

IUPAC1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine
SMILESC=C(N)c1ncn(C(C)(C)C)n1
InChIInChI=1S/C8H14N4/c1-6(9)7-10-5-12(11-7)8(2,3)4/h5H,1,9H2,2-4H3
InChIKeyKJUMMHFYACZLJL-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.96
Rot. Bonds1

About 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine

1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine (PubChem CID 158908941) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine.

Molecular Properties

Compound Name1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine
PubChem CID158908941
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine
SMILESC=C(N)c1ncn(C(C)(C)C)n1
InChIInChI=1S/C8H14N4/c1-6(9)7-10-5-12(11-7)8(2,3)4/h5H,1,9H2,2-4H3
InChIKeyKJUMMHFYACZLJL-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine?
The IUPAC name of 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine (CID 158908941) is 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine.
What is the SMILES notation for 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine?
The canonical SMILES for 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine is C=C(N)c1ncn(C(C)(C)C)n1.
What is the InChIKey of 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine?
The InChIKey is KJUMMHFYACZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(9)7-10-5-12(11-7)8(2,3)4/h5H,1,9H2,2-4H3.
What are the key properties of 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine?
1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine has a molecular weight of 166.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-1,2,4-triazol-3-yl)ethenamine is sourced from PubChem (CID 158908941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).