1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine

C8H12N6 — CID 130592078

IUPAC1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine
SMILESCn1ncc(CC(N)c2ncc[nH]2)n1
InChIInChI=1S/C8H12N6/c1-14-12-5-6(13-14)4-7(9)8-10-2-3-11-8/h2-3,5,7H,4,9H2,1H3,(H,10,11)
InChIKeyQEZQXLJHCXIUSP-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.22
Rot. Bonds3

About 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine

1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine (PubChem CID 130592078) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine
PubChem CID130592078
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine
SMILESCn1ncc(CC(N)c2ncc[nH]2)n1
InChIInChI=1S/C8H12N6/c1-14-12-5-6(13-14)4-7(9)8-10-2-3-11-8/h2-3,5,7H,4,9H2,1H3,(H,10,11)
InChIKeyQEZQXLJHCXIUSP-UHFFFAOYSA-N
XLogP-0.22
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine (CID 130592078) is 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine is Cn1ncc(CC(N)c2ncc[nH]2)n1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine?
The InChIKey is QEZQXLJHCXIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-14-12-5-6(13-14)4-7(9)8-10-2-3-11-8/h2-3,5,7H,4,9H2,1H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine?
1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine has a molecular weight of 192.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-(2-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 130592078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).