1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol

C14H16N4O2 — CID 138020555

IUPAC1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
SMILESCc1cn(CC(O)COc2cccc3[nH]ccc23)nn1
InChIInChI=1S/C14H16N4O2/c1-10-7-18(17-16-10)8-11(19)9-20-14-4-2-3-13-12(14)5-6-15-13/h2-7,11,15,19H,8-9H2,1H3
InChIKeyOGPGWKRQDXIYQH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.51
Rot. Bonds5

About 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol

1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol (PubChem CID 138020555) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
PubChem CID138020555
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
SMILESCc1cn(CC(O)COc2cccc3[nH]ccc23)nn1
InChIInChI=1S/C14H16N4O2/c1-10-7-18(17-16-10)8-11(19)9-20-14-4-2-3-13-12(14)5-6-15-13/h2-7,11,15,19H,8-9H2,1H3
InChIKeyOGPGWKRQDXIYQH-UHFFFAOYSA-N
XLogP1.51
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenoxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020565
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
(2S)-1-(1H-indol-4-yloxy)-3-(5-methyl-3-nitropyrazol-1-yl)propan-2-ol
CID 99783327
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(1H-indol-4-yloxy)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 75514070
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol
CID 167875689
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol (CID 138020555) is 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol is Cc1cn(CC(O)COc2cccc3[nH]ccc23)nn1.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
The InChIKey is OGPGWKRQDXIYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-7-18(17-16-10)8-11(19)9-20-14-4-2-3-13-12(14)5-6-15-13/h2-7,11,15,19H,8-9H2,1H3.
What are the key properties of 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol?
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol has a molecular weight of 272.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol is sourced from PubChem (CID 138020555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).