5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine

C10H16N6 — CID 79542431

IUPAC5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nccn1CC
InChIInChI=1S/C10H16N6/c1-3-8-10(11)13-14-16(8)7-9-12-5-6-15(9)4-2/h5-6H,3-4,7,11H2,1-2H3
InChIKeyKXVLUEUHTUUACQ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.69
Rot. Bonds4

About 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine

5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine (PubChem CID 79542431) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine
PubChem CID79542431
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nccn1CC
InChIInChI=1S/C10H16N6/c1-3-8-10(11)13-14-16(8)7-9-12-5-6-15(9)4-2/h5-6H,3-4,7,11H2,1-2H3
InChIKeyKXVLUEUHTUUACQ-UHFFFAOYSA-N
XLogP0.69
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine (CID 79542431) is 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1nccn1CC.
What is the InChIKey of 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine?
The InChIKey is KXVLUEUHTUUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-8-10(11)13-14-16(8)7-9-12-5-6-15(9)4-2/h5-6H,3-4,7,11H2,1-2H3.
What are the key properties of 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine?
5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine has a molecular weight of 220.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).