[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol

C15H18N4O — CID 82204977

IUPAC[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O/c1-2-7-19-15(14(10-20)17-18-19)8-11-9-16-13-6-4-3-5-12(11)13/h3-6,9,16,20H,2,7-8,10H2,1H3
InChIKeyBUFKWDZCKFFRLE-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.25
Rot. Bonds5

About [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol

[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol (PubChem CID 82204977) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
PubChem CID82204977
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O/c1-2-7-19-15(14(10-20)17-18-19)8-11-9-16-13-6-4-3-5-12(11)13/h3-6,9,16,20H,2,7-8,10H2,1H3
InChIKeyBUFKWDZCKFFRLE-UHFFFAOYSA-N
XLogP2.25
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-indol-3-ylmethyl)-1-propyltriazole-4-carboxylic acid
CID 82204836
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
[5-(1H-indol-3-ylmethyl)-1-prop-2-enyltriazol-4-yl]methanamine
CID 82204738
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
5-(1H-indol-3-ylmethyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94946232
[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 82203789
[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219731
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
N'-[2-(1H-indol-3-yl)acetyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
CID 31828416
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol?
The IUPAC name of [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol (CID 82204977) is [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol?
The canonical SMILES for [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol is CCCn1nnc(CO)c1Cc1c[nH]c2ccccc12.
What is the InChIKey of [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol?
The InChIKey is BUFKWDZCKFFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-7-19-15(14(10-20)17-18-19)8-11-9-16-13-6-4-3-5-12(11)13/h3-6,9,16,20H,2,7-8,10H2,1H3.
What are the key properties of [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol?
[5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol has a molecular weight of 270.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indol-3-ylmethyl)-1-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82204977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).