1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C10H16N6O2S — CID 63332663

IUPAC1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCn1cnnc1CCNCC(O)COc1cnsn1
InChIInChI=1S/C10H16N6O2S/c1-16-7-12-14-9(16)2-3-11-4-8(17)6-18-10-5-13-19-15-10/h5,7-8,11,17H,2-4,6H2,1H3
InChIKeyILMWBZHDKPSMCR-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.76
Rot. Bonds8

About 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 63332663) has the molecular formula C10H16N6O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID63332663
Molecular FormulaC10H16N6O2S
Molecular Weight284.34 g/mol
Exact Mass284.11
IUPAC Name1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCn1cnnc1CCNCC(O)COc1cnsn1
InChIInChI=1S/C10H16N6O2S/c1-16-7-12-14-9(16)2-3-11-4-8(17)6-18-10-5-13-19-15-10/h5,7-8,11,17H,2-4,6H2,1H3
InChIKeyILMWBZHDKPSMCR-UHFFFAOYSA-N
XLogP-0.76
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106303059
1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
1-[2-(5-bromothiophen-2-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106047152
1-(2-butoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 61171244
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
1-(2-cyclopentylethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 54932742
2-[[2-hydroxy-3-(1,2,5-thiadiazol-3-yloxy)propyl]amino]-3-methylbutan-1-ol
CID 79249568
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 105416586

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 63332663) is 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is Cn1cnnc1CCNCC(O)COc1cnsn1.
What is the InChIKey of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is ILMWBZHDKPSMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-16-7-12-14-9(16)2-3-11-4-8(17)6-18-10-5-13-19-15-10/h5,7-8,11,17H,2-4,6H2,1H3.
What are the key properties of 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 284.34 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 63332663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).