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

C5H10N4O — CID 90284000

IUPAC(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1[C@@H](N)CO
InChIInChI=1S/C5H10N4O/c1-9-5(4(6)2-10)7-3-8-9/h3-4,10H,2,6H2,1H3/t4-/m0/s1
InChIKeyAWGCLNQQIUBTNA-BYPYZUCNSA-N
MW142.16 g/mol
LogP-1.19
Rot. Bonds2

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

(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 90284000) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID90284000
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1ncnc1[C@@H](N)CO
InChIInChI=1S/C5H10N4O/c1-9-5(4(6)2-10)7-3-8-9/h3-4,10H,2,6H2,1H3/t4-/m0/s1
InChIKeyAWGCLNQQIUBTNA-BYPYZUCNSA-N
XLogP-1.19
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 ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol (CID 90284000) is (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is Cn1ncnc1[C@@H](N)CO.
What is the InChIKey of (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is AWGCLNQQIUBTNA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-5(4(6)2-10)7-3-8-9/h3-4,10H,2,6H2,1H3/t4-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol?
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 142.16 g/mol, XLogP of -1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 90284000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).