2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine

C18H20N4O3 — CID 175906941

IUPAC2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
SMILESCn1nnc(-c2cccc(-c3ccoc3)n2)c1COC1CCCCO1
InChIInChI=1S/C18H20N4O3/c1-22-16(12-25-17-7-2-3-9-24-17)18(20-21-22)15-6-4-5-14(19-15)13-8-10-23-11-13/h4-6,8,10-11,17H,2-3,7,9,12H2,1H3
InChIKeyRWHIJWCHOGFKJI-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.18
Rot. Bonds5

About 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine

2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine (PubChem CID 175906941) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
PubChem CID175906941
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
SMILESCn1nnc(-c2cccc(-c3ccoc3)n2)c1COC1CCCCO1
InChIInChI=1S/C18H20N4O3/c1-22-16(12-25-17-7-2-3-9-24-17)18(20-21-22)15-6-4-5-14(19-15)13-8-10-23-11-13/h4-6,8,10-11,17H,2-3,7,9,12H2,1H3
InChIKeyRWHIJWCHOGFKJI-UHFFFAOYSA-N
XLogP3.18
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
CID 154936316
methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 175234506
4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
CID 168931729
methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
CID 166105493
methyl 2-[5-[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-3-yl]acetate
CID 166105611
[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
CID 175538273
propan-2-yl 3-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 175696876
3-[4-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155123427
ethyl (1S,2R,5R)-2-[[6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 164831227
1-methyl-5-[[(2R)-oxan-2-yl]oxymethyl]pyrazol-3-amine
CID 124673951
3-ethyl-1-methyl-5-(oxan-2-yloxymethyl)pyrazole
CID 162435947
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine?
The IUPAC name of 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine (CID 175906941) is 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine is Cn1nnc(-c2cccc(-c3ccoc3)n2)c1COC1CCCCO1.
What is the InChIKey of 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine?
The InChIKey is RWHIJWCHOGFKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22-16(12-25-17-7-2-3-9-24-17)18(20-21-22)15-6-4-5-14(19-15)13-8-10-23-11-13/h4-6,8,10-11,17H,2-3,7,9,12H2,1H3.
What are the key properties of 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine?
2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine has a molecular weight of 340.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 175906941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).