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

C16H15N5O — CID 70943698

IUPAC5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole
SMILESCOC1C=c2cc(-c3ccc(-n4cncn4)nc3)[nH]c2=CC1
InChIInChI=1S/C16H15N5O/c1-22-13-3-4-14-12(6-13)7-15(20-14)11-2-5-16(18-8-11)21-10-17-9-19-21/h2,4-10,13,20H,3H2,1H3
InChIKeyZIZDNNBZXUPYDP-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.64
Rot. Bonds3

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

5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole (PubChem CID 70943698) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole
PubChem CID70943698
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole
SMILESCOC1C=c2cc(-c3ccc(-n4cncn4)nc3)[nH]c2=CC1
InChIInChI=1S/C16H15N5O/c1-22-13-3-4-14-12(6-13)7-15(20-14)11-2-5-16(18-8-11)21-10-17-9-19-21/h2,4-10,13,20H,3H2,1H3
InChIKeyZIZDNNBZXUPYDP-UHFFFAOYSA-N
XLogP0.64
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole?
The IUPAC name of 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole (CID 70943698) is 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole is COC1C=c2cc(-c3ccc(-n4cncn4)nc3)[nH]c2=CC1.
What is the InChIKey of 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole?
The InChIKey is ZIZDNNBZXUPYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-22-13-3-4-14-12(6-13)7-15(20-14)11-2-5-16(18-8-11)21-10-17-9-19-21/h2,4-10,13,20H,3H2,1H3.
What are the key properties of 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole?
5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole has a molecular weight of 293.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-5,6-dihydro-1H-indole is sourced from PubChem (CID 70943698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).