(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

C8H16N4O — CID 106932117

IUPAC(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCc1nncn1C
InChIInChI=1S/C8H16N4O/c1-7(13)5-9-4-3-8-11-10-6-12(8)2/h6-7,9,13H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDJRDSTXXFRTNQS-SSDOTTSWSA-N
MW184.24 g/mol
LogP-0.67
Rot. Bonds5

About (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 106932117) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID106932117
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCc1nncn1C
InChIInChI=1S/C8H16N4O/c1-7(13)5-9-4-3-8-11-10-6-12(8)2/h6-7,9,13H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyDJRDSTXXFRTNQS-SSDOTTSWSA-N
XLogP-0.67
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63930079
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 63332212
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332595
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332560
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
CID 79355147
1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575
N-(3-methylbutyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 63332782

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 106932117) is (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is C[C@@H](O)CNCCc1nncn1C.
What is the InChIKey of (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is DJRDSTXXFRTNQS-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(13)5-9-4-3-8-11-10-6-12(8)2/h6-7,9,13H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106932117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).