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

C8H11N5O — CID 79751545

IUPAC2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCn1ccnc1CC(O)c1ncn[nH]1
InChIInChI=1S/C8H11N5O/c1-13-3-2-9-7(13)4-6(14)8-10-5-11-12-8/h2-3,5-6,14H,4H2,1H3,(H,10,11,12)
InChIKeyMRTIGCNDSTZCGO-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.19
Rot. Bonds3

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

2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 79751545) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID79751545
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCn1ccnc1CC(O)c1ncn[nH]1
InChIInChI=1S/C8H11N5O/c1-13-3-2-9-7(13)4-6(14)8-10-5-11-12-8/h2-3,5-6,14H,4H2,1H3,(H,10,11,12)
InChIKeyMRTIGCNDSTZCGO-UHFFFAOYSA-N
XLogP-0.19
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 79751545) is 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol is Cn1ccnc1CC(O)c1ncn[nH]1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is MRTIGCNDSTZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-13-3-2-9-7(13)4-6(14)8-10-5-11-12-8/h2-3,5-6,14H,4H2,1H3,(H,10,11,12).
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 193.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 79751545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).