1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol

C8H10N4O — CID 130979898

IUPAC1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccc[nH]1
InChIInChI=1S/C8H10N4O/c13-8(7-2-1-3-10-7)4-12-6-9-5-11-12/h1-3,5-6,8,10,13H,4H2
InChIKeyPOKFXUBAZMYWHH-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.34
Rot. Bonds3

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

1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 130979898) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID130979898
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccc[nH]1
InChIInChI=1S/C8H10N4O/c13-8(7-2-1-3-10-7)4-12-6-9-5-11-12/h1-3,5-6,8,10,13H,4H2
InChIKeyPOKFXUBAZMYWHH-UHFFFAOYSA-N
XLogP0.34
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-(1,2-thiazol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130871558
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 20525182
1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 21249467
(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 67870604
2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
2-(cyclopropylamino)-3-(1,2,4-triazol-1-yl)propan-1-ol
CID 64809235
5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 19022866
2-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]oxybenzonitrile
CID 153316431

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol (CID 130979898) is 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is POKFXUBAZMYWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c13-8(7-2-1-3-10-7)4-12-6-9-5-11-12/h1-3,5-6,8,10,13H,4H2.
What are the key properties of 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol?
1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 178.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 130979898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).