6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole

C15H16N4O — CID 74246095

IUPAC6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESc1cc2ccc(-c3n[nH]c(C4CCOCC4)n3)cc2[nH]1
InChIInChI=1S/C15H16N4O/c1-2-12(9-13-10(1)3-6-16-13)15-17-14(18-19-15)11-4-7-20-8-5-11/h1-3,6,9,11,16H,4-5,7-8H2,(H,17,18,19)
InChIKeyLDTIKFDTYPVFRT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.85
Rot. Bonds2

About 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole

6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole (PubChem CID 74246095) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole.

Molecular Properties

Compound Name6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole
PubChem CID74246095
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole
SMILESc1cc2ccc(-c3n[nH]c(C4CCOCC4)n3)cc2[nH]1
InChIInChI=1S/C15H16N4O/c1-2-12(9-13-10(1)3-6-16-13)15-17-14(18-19-15)11-4-7-20-8-5-11/h1-3,6,9,11,16H,4-5,7-8H2,(H,17,18,19)
InChIKeyLDTIKFDTYPVFRT-UHFFFAOYSA-N
XLogP2.85
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The IUPAC name of 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole (CID 74246095) is 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole.
What is the SMILES notation for 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The canonical SMILES for 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole is c1cc2ccc(-c3n[nH]c(C4CCOCC4)n3)cc2[nH]1.
What is the InChIKey of 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole?
The InChIKey is LDTIKFDTYPVFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-12(9-13-10(1)3-6-16-13)15-17-14(18-19-15)11-4-7-20-8-5-11/h1-3,6,9,11,16H,4-5,7-8H2,(H,17,18,19).
What are the key properties of 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole?
6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole has a molecular weight of 268.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]-1H-indole is sourced from PubChem (CID 74246095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).