3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine

C18H21N5O3 — CID 11256774

IUPAC3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine
SMILESCCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)nc1C
InChIInChI=1S/C18H21N5O3/c1-5-26-15-8-7-14(20-12(15)2)18-22-21-16(11-24-3)23(18)13-6-9-17(25-4)19-10-13/h6-10H,5,11H2,1-4H3
InChIKeyGQJVUJLTSDNHDW-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.59
Rot. Bonds7

About 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine

3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine (PubChem CID 11256774) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine.

Molecular Properties

Compound Name3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine
PubChem CID11256774
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine
SMILESCCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)nc1C
InChIInChI=1S/C18H21N5O3/c1-5-26-15-8-7-14(20-12(15)2)18-22-21-16(11-24-3)23(18)13-6-9-17(25-4)19-10-13/h6-10H,5,11H2,1-4H3
InChIKeyGQJVUJLTSDNHDW-UHFFFAOYSA-N
XLogP2.59
TPSA84.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine?
The IUPAC name of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine (CID 11256774) is 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine.
What is the SMILES notation for 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine?
The canonical SMILES for 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine is CCOc1ccc(-c2nnc(COC)n2-c2ccc(OC)nc2)nc1C.
What is the InChIKey of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine?
The InChIKey is GQJVUJLTSDNHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-5-26-15-8-7-14(20-12(15)2)18-22-21-16(11-24-3)23(18)13-6-9-17(25-4)19-10-13/h6-10H,5,11H2,1-4H3.
What are the key properties of 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine?
3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine has a molecular weight of 355.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-methylpyridine is sourced from PubChem (CID 11256774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).