5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine

C18H20N4O3 — CID 146045932

IUPAC5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cnc(C)cc1-c1nc(-c2ccc(C)o2)nn1C1CCOC1
InChIInChI=1S/C18H20N4O3/c1-11-8-14(16(23-3)9-19-11)18-20-17(15-5-4-12(2)25-15)21-22(18)13-6-7-24-10-13/h4-5,8-9,13H,6-7,10H2,1-3H3
InChIKeyQGJUPSPBWHAEKV-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.19
Rot. Bonds4

About 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine

5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 146045932) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine
PubChem CID146045932
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cnc(C)cc1-c1nc(-c2ccc(C)o2)nn1C1CCOC1
InChIInChI=1S/C18H20N4O3/c1-11-8-14(16(23-3)9-19-11)18-20-17(15-5-4-12(2)25-15)21-22(18)13-6-7-24-10-13/h4-5,8-9,13H,6-7,10H2,1-3H3
InChIKeyQGJUPSPBWHAEKV-UHFFFAOYSA-N
XLogP3.19
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine (CID 146045932) is 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine is COc1cnc(C)cc1-c1nc(-c2ccc(C)o2)nn1C1CCOC1.
What is the InChIKey of 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is QGJUPSPBWHAEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-8-14(16(23-3)9-19-11)18-20-17(15-5-4-12(2)25-15)21-22(18)13-6-7-24-10-13/h4-5,8-9,13H,6-7,10H2,1-3H3.
What are the key properties of 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine?
5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 340.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-[5-(5-methylfuran-2-yl)-2-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 146045932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).