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

C16H13N5O — CID 58203286

IUPAC6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
SMILESCOc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1
InChIInChI=1S/C16H13N5O/c1-22-13-4-2-11-6-14(20-15(11)7-13)12-3-5-16(18-8-12)21-10-17-9-19-21/h2-10,20H,1H3
InChIKeyOKVGCPVRVJYZHK-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.82
Rot. Bonds3

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

6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole (PubChem CID 58203286) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole.

Molecular Properties

Compound Name6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
PubChem CID58203286
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole
SMILESCOc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1
InChIInChI=1S/C16H13N5O/c1-22-13-4-2-11-6-14(20-15(11)7-13)12-3-5-16(18-8-12)21-10-17-9-19-21/h2-10,20H,1H3
InChIKeyOKVGCPVRVJYZHK-UHFFFAOYSA-N
XLogP2.82
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The IUPAC name of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole (CID 58203286) is 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole.
What is the SMILES notation for 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The canonical SMILES for 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole is COc1ccc2cc(-c3ccc(-n4cncn4)nc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
The InChIKey is OKVGCPVRVJYZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-13-4-2-11-6-14(20-15(11)7-13)12-3-5-16(18-8-12)21-10-17-9-19-21/h2-10,20H,1H3.
What are the key properties of 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole?
6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole has a molecular weight of 291.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole is sourced from PubChem (CID 58203286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).