2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol

C9H16N6O — CID 79509398

IUPAC2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol
SMILESCCN1C(N)=NCC1c1cn(CCO)nn1
InChIInChI=1S/C9H16N6O/c1-2-15-8(5-11-9(15)10)7-6-14(3-4-16)13-12-7/h6,8,16H,2-5H2,1H3,(H2,10,11)
InChIKeyORAIGYMUAGNCGB-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.04
Rot. Bonds4

About 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol

2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol (PubChem CID 79509398) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol
PubChem CID79509398
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol
SMILESCCN1C(N)=NCC1c1cn(CCO)nn1
InChIInChI=1S/C9H16N6O/c1-2-15-8(5-11-9(15)10)7-6-14(3-4-16)13-12-7/h6,8,16H,2-5H2,1H3,(H2,10,11)
InChIKeyORAIGYMUAGNCGB-UHFFFAOYSA-N
XLogP-1.04
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol (CID 79509398) is 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol is CCN1C(N)=NCC1c1cn(CCO)nn1.
What is the InChIKey of 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol?
The InChIKey is ORAIGYMUAGNCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-2-15-8(5-11-9(15)10)7-6-14(3-4-16)13-12-7/h6,8,16H,2-5H2,1H3,(H2,10,11).
What are the key properties of 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol?
2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol has a molecular weight of 224.27 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol is sourced from PubChem (CID 79509398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).