1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol

C15H17ClN4O — CID 166251403

IUPAC1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(CCn2ccc3cc(Cl)ccc32)nn1
InChIInChI=1S/C15H17ClN4O/c1-2-15(21)13-10-20(18-17-13)8-7-19-6-5-11-9-12(16)3-4-14(11)19/h3-6,9-10,15,21H,2,7-8H2,1H3
InChIKeyRDYUGFNHVLYHTE-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.03
Rot. Bonds5

About 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol

1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol (PubChem CID 166251403) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol
PubChem CID166251403
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(CCn2ccc3cc(Cl)ccc32)nn1
InChIInChI=1S/C15H17ClN4O/c1-2-15(21)13-10-20(18-17-13)8-7-19-6-5-11-9-12(16)3-4-14(11)19/h3-6,9-10,15,21H,2,7-8H2,1H3
InChIKeyRDYUGFNHVLYHTE-UHFFFAOYSA-N
XLogP3.03
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol (CID 166251403) is 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol is CCC(O)c1cn(CCn2ccc3cc(Cl)ccc32)nn1.
What is the InChIKey of 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol?
The InChIKey is RDYUGFNHVLYHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-15(21)13-10-20(18-17-13)8-7-19-6-5-11-9-12(16)3-4-14(11)19/h3-6,9-10,15,21H,2,7-8H2,1H3.
What are the key properties of 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol?
1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol has a molecular weight of 304.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 166251403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).