2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol

C9H14N6O — CID 145491158

IUPAC2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol
SMILESCCn1cc(C(O)Cn2ccnc2N)nn1
InChIInChI=1S/C9H14N6O/c1-2-15-5-7(12-13-15)8(16)6-14-4-3-11-9(14)10/h3-5,8,16H,2,6H2,1H3,(H2,10,11)
InChIKeyDGWVCUMZYCEBGS-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.19
Rot. Bonds4

About 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol

2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol (PubChem CID 145491158) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol
PubChem CID145491158
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol
SMILESCCn1cc(C(O)Cn2ccnc2N)nn1
InChIInChI=1S/C9H14N6O/c1-2-15-5-7(12-13-15)8(16)6-14-4-3-11-9(14)10/h3-5,8,16H,2,6H2,1H3,(H2,10,11)
InChIKeyDGWVCUMZYCEBGS-UHFFFAOYSA-N
XLogP-0.19
TPSA94.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Aminoimidazol-1-yl)-4-[4-(fluoromethyl)triazol-1-yl]butane-2,3-diol
CID 71055152
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CID 89230845
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol
CID 62401470
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
CID 81444481
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol
CID 113482636
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-2-ol
CID 116005835
1-(1-Methyl-1H-imidazol-4-yl)-ethanol
CID 12519699
5-(1-Hydroxyethyl)-1-methylimidazole
CID 22273526
1-[1-(2-(18F)fluoroethyl)triazol-4-yl]-2-(2-nitroimidazol-1-yl)ethanol
CID 25183524
1-(1-Methyl-1h-imidazol-4-yl)-2-(methylamino)ethan-1-ol
CID 69753860
2-[4-[(2-Aminoimidazol-1-yl)methyl]triazol-1-yl]butan-1-ol
CID 71055105
1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)ethanol
CID 90956298

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol (CID 145491158) is 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol is CCn1cc(C(O)Cn2ccnc2N)nn1.
What is the InChIKey of 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol?
The InChIKey is DGWVCUMZYCEBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-2-15-5-7(12-13-15)8(16)6-14-4-3-11-9(14)10/h3-5,8,16H,2,6H2,1H3,(H2,10,11).
What are the key properties of 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol?
2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol has a molecular weight of 222.25 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoimidazol-1-yl)-1-(1-ethyltriazol-4-yl)ethanol is sourced from PubChem (CID 145491158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).