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

C11H14N4O2 — CID 157019727

IUPAC2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2ccc(OC)nc2)nn1C
InChIInChI=1S/C11H14N4O2/c1-15-9(7-16-2)13-11(14-15)8-4-5-10(17-3)12-6-8/h4-6H,7H2,1-3H3
InChIKeyNEFNWPHNGFUYHT-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.03
Rot. Bonds4

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

2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 157019727) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID157019727
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2ccc(OC)nc2)nn1C
InChIInChI=1S/C11H14N4O2/c1-15-9(7-16-2)13-11(14-15)8-4-5-10(17-3)12-6-8/h4-6H,7H2,1-3H3
InChIKeyNEFNWPHNGFUYHT-UHFFFAOYSA-N
XLogP1.03
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 157011768
5-(methoxymethyl)-1-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]-1,2,4-triazole
CID 157011839
N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938356
5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride
CID 163341217
3-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157013961
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157012483
3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157017885
4-[[3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]morpholine
CID 157011278
6-ethyl-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938348
4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]aniline
CID 68773100

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine (CID 157019727) is 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine is COCc1nc(-c2ccc(OC)nc2)nn1C.
What is the InChIKey of 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is NEFNWPHNGFUYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-15-9(7-16-2)13-11(14-15)8-4-5-10(17-3)12-6-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine?
2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 234.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 157019727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).