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

C8H16N4O — CID 63332515

IUPAC1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCC(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
InChIKeyDJRDSTXXFRTNQS-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.67
Rot. Bonds5

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

1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 63332515) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID63332515
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCC(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
InChIKeyDJRDSTXXFRTNQS-UHFFFAOYSA-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-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55201137
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62691768
1,1,1-Trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899230
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
1,1,1-Trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 63902306
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804963
1,1,1-Trifluoro-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 80681844
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644758
1,1,1-Trifluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105644790
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 63332515) is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is CC(O)CNCCc1nncn1C.
What is the InChIKey of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is DJRDSTXXFRTNQS-UHFFFAOYSA-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.
What are the key properties of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
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 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63332515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).