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

C19H20N6O — CID 11210231

IUPAC3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cn1
InChIInChI=1S/C19H20N6O/c1-11(2)8-16-21-19(25-23-16)12-4-6-15-14(9-12)18(24-22-15)13-5-7-17(26-3)20-10-13/h4-7,9-11H,8H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyVMXYMOKNZXEHHP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.62
Rot. Bonds5

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

3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 11210231) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID11210231
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cn1
InChIInChI=1S/C19H20N6O/c1-11(2)8-16-21-19(25-23-16)12-4-6-15-14(9-12)18(24-22-15)13-5-7-17(26-3)20-10-13/h4-7,9-11H,8H2,1-3H3,(H,22,24)(H,21,23,25)
InChIKeyVMXYMOKNZXEHHP-UHFFFAOYSA-N
XLogP3.62
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole (CID 11210231) is 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC(C)C)n4)cc23)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is VMXYMOKNZXEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-11(2)8-16-21-19(25-23-16)12-4-6-15-14(9-12)18(24-22-15)13-5-7-17(26-3)20-10-13/h4-7,9-11H,8H2,1-3H3,(H,22,24)(H,21,23,25).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole?
3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 348.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 11210231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).