2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol

C9H13N5O — CID 79751634

IUPAC2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCCn1ccnc1CC(O)c1ncn[nH]1
InChIInChI=1S/C9H13N5O/c1-2-14-4-3-10-8(14)5-7(15)9-11-6-12-13-9/h3-4,6-7,15H,2,5H2,1H3,(H,11,12,13)
InChIKeyIPQPDRRCJGHCFC-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.30
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol

2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 79751634) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID79751634
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCCn1ccnc1CC(O)c1ncn[nH]1
InChIInChI=1S/C9H13N5O/c1-2-14-4-3-10-8(14)5-7(15)9-11-6-12-13-9/h3-4,6-7,15H,2,5H2,1H3,(H,11,12,13)
InChIKeyIPQPDRRCJGHCFC-UHFFFAOYSA-N
XLogP0.30
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928118
3-cyclopropyl-5-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-1H-1,2,4-triazole
CID 97881590
1-(5-imidazol-1-yl-1H-imidazol-2-yl)propan-1-ol
CID 68139528
1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanol
CID 91253634
5-[2-[1-(2-methoxyethyl)imidazol-2-yl]ethyl]-1H-1,2,4-triazole
CID 173073541
2-imidazol-1-yl-2-(1H-1,2,4-triazol-5-yl)butane-1,3-diol
CID 174286581
5-[(3-butylimidazol-1-ium-1-yl)methyl]-1H-1,2,4-triazole
CID 10040025
[1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol
CID 62222826
(1-methylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363337
(1-propylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363338
(1-ethylimidazol-2-yl)-(1H-1,2,4-triazol-5-yl)methanol
CID 65363456
[1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methanol
CID 65602436

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 79751634) is 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol is CCn1ccnc1CC(O)c1ncn[nH]1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is IPQPDRRCJGHCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-14-4-3-10-8(14)5-7(15)9-11-6-12-13-9/h3-4,6-7,15H,2,5H2,1H3,(H,11,12,13).
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 207.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 79751634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).