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

C5H10N4O — CID 61279338

IUPAC2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
SMILESCc1nc(C(N)CO)n[nH]1
InChIInChI=1S/C5H10N4O/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9)
InChIKeyYEVKFHNOMPTMPB-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.89
Rot. Bonds2

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

2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol (PubChem CID 61279338) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
PubChem CID61279338
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
SMILESCc1nc(C(N)CO)n[nH]1
InChIInChI=1S/C5H10N4O/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9)
InChIKeyYEVKFHNOMPTMPB-UHFFFAOYSA-N
XLogP-0.89
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol (CID 61279338) is 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol is Cc1nc(C(N)CO)n[nH]1.
What is the InChIKey of 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol?
The InChIKey is YEVKFHNOMPTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9).
What are the key properties of 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol?
2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol has a molecular weight of 142.16 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 61279338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).