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

C9H18N4O2 — CID 63930079

IUPAC1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCOCC(O)CNCCc1nncn1C
InChIInChI=1S/C9H18N4O2/c1-13-7-11-12-9(13)3-4-10-5-8(14)6-15-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyILFJJTMBANHKDI-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.05
Rot. Bonds7

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

1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 63930079) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID63930079
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCOCC(O)CNCCc1nncn1C
InChIInChI=1S/C9H18N4O2/c1-13-7-11-12-9(13)3-4-10-5-8(14)6-15-2/h7-8,10,14H,3-6H2,1-2H3
InChIKeyILFJJTMBANHKDI-UHFFFAOYSA-N
XLogP-1.05
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 63332663
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288
3-methoxy-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoic acid
CID 103251264
1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 63332212
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-2-amine
CID 63332509
1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117512
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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 63930079) is 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is COCC(O)CNCCc1nncn1C.
What is the InChIKey of 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is ILFJJTMBANHKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-13-7-11-12-9(13)3-4-10-5-8(14)6-15-2/h7-8,10,14H,3-6H2,1-2H3.
What are the key properties of 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 214.27 g/mol, XLogP of -1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63930079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).