6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole

C15H18N4O — CID 171518761

IUPAC6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2ccc(OCc3cn(C)nn3)cc2[nH]1
InChIInChI=1S/C15H18N4O/c1-10(2)14-6-11-4-5-13(7-15(11)16-14)20-9-12-8-19(3)18-17-12/h4-8,10,16H,9H2,1-3H3
InChIKeyGCGVPADQMKHOKK-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.00
Rot. Bonds4

About 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole

6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole (PubChem CID 171518761) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole
PubChem CID171518761
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole
SMILESCC(C)c1cc2ccc(OCc3cn(C)nn3)cc2[nH]1
InChIInChI=1S/C15H18N4O/c1-10(2)14-6-11-4-5-13(7-15(11)16-14)20-9-12-8-19(3)18-17-12/h4-8,10,16H,9H2,1-3H3
InChIKeyGCGVPADQMKHOKK-UHFFFAOYSA-N
XLogP3.00
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole?
The IUPAC name of 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole (CID 171518761) is 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole.
What is the SMILES notation for 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole?
The canonical SMILES for 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole is CC(C)c1cc2ccc(OCc3cn(C)nn3)cc2[nH]1.
What is the InChIKey of 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole?
The InChIKey is GCGVPADQMKHOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(2)14-6-11-4-5-13(7-15(11)16-14)20-9-12-8-19(3)18-17-12/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole?
6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole has a molecular weight of 270.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyltriazol-4-yl)methoxy]-2-propan-2-yl-1H-indole is sourced from PubChem (CID 171518761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).