2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol

C5H10N4O — CID 79521269

IUPAC2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol
SMILESCc1nc(N)nn1CCO
InChIInChI=1S/C5H10N4O/c1-4-7-5(6)8-9(4)2-3-10/h10H,2-3H2,1H3,(H2,6,8)
InChIKeyOPLCPJXREKABCR-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.84
Rot. Bonds2

About 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol

2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol (PubChem CID 79521269) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol
PubChem CID79521269
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol
SMILESCc1nc(N)nn1CCO
InChIInChI=1S/C5H10N4O/c1-4-7-5(6)8-9(4)2-3-10/h10H,2-3H2,1H3,(H2,6,8)
InChIKeyOPLCPJXREKABCR-UHFFFAOYSA-N
XLogP-0.84
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(dimethyl-4H-1,2,4-triazol-3-yl)methanol
CID 18726738
(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
1-(1-Methylethyl)-1H-1,2,4-triazole-5-methanol
CID 13624273
(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methanol
CID 84647940
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845
2-[3-(Fluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57296588
[5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492
[5-(Difluoromethyl)-1-methyl-1,2,4-triazol-3-yl]methanol
CID 156298868
1-(2,2-Difluoroethyl)-5-(ethoxymethyl)-1,2,4-triazol-3-amine
CID 178823560

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol (CID 79521269) is 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol is Cc1nc(N)nn1CCO.
What is the InChIKey of 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is OPLCPJXREKABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4-7-5(6)8-9(4)2-3-10/h10H,2-3H2,1H3,(H2,6,8).
What are the key properties of 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol?
2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 142.16 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 79521269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).