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

C8H16N4O — CID 66165893

IUPAC2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCc1nnc(C(O)CN)n1C(C)C
InChIInChI=1S/C8H16N4O/c1-5(2)12-6(3)10-11-8(12)7(13)4-9/h5,7,13H,4,9H2,1-3H3
InChIKeyQJBYFTVJAOLATC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.16
Rot. Bonds3

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

2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol (PubChem CID 66165893) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol
PubChem CID66165893
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol
SMILESCc1nnc(C(O)CN)n1C(C)C
InChIInChI=1S/C8H16N4O/c1-5(2)12-6(3)10-11-8(12)7(13)4-9/h5,7,13H,4,9H2,1-3H3
InChIKeyQJBYFTVJAOLATC-UHFFFAOYSA-N
XLogP0.16
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol (CID 66165893) is 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol is Cc1nnc(C(O)CN)n1C(C)C.
What is the InChIKey of 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is QJBYFTVJAOLATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(2)12-6(3)10-11-8(12)7(13)4-9/h5,7,13H,4,9H2,1-3H3.
What are the key properties of 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol?
2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 184.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 66165893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).