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

C10H15N5O — CID 79751635

IUPAC2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ncn[nH]1
InChIInChI=1S/C10H15N5O/c1-2-4-15-5-3-11-9(15)6-8(16)10-12-7-13-14-10/h3,5,7-8,16H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyAUYRVNJAPGBILG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.69
Rot. Bonds5

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

2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 79751635) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID79751635
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ncn[nH]1
InChIInChI=1S/C10H15N5O/c1-2-4-15-5-3-11-9(15)6-8(16)10-12-7-13-14-10/h3,5,7-8,16H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyAUYRVNJAPGBILG-UHFFFAOYSA-N
XLogP0.69
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 79751635) is 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol is CCCn1ccnc1CC(O)c1ncn[nH]1.
What is the InChIKey of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is AUYRVNJAPGBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-4-15-5-3-11-9(15)6-8(16)10-12-7-13-14-10/h3,5,7-8,16H,2,4,6H2,1H3,(H,12,13,14).
What are the key properties of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 221.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 79751635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).