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

C10H14N4O — CID 22614855

IUPAC5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine
SMILESCOCc1nc(C2=CN(C)CC=C2)n[nH]1
InChIInChI=1S/C10H14N4O/c1-14-5-3-4-8(6-14)10-11-9(7-15-2)12-13-10/h3-4,6H,5,7H2,1-2H3,(H,11,12,13)
InChIKeyHHFBYLJWJPWNTE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.79
Rot. Bonds3

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

5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine (PubChem CID 22614855) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine
PubChem CID22614855
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine
SMILESCOCc1nc(C2=CN(C)CC=C2)n[nH]1
InChIInChI=1S/C10H14N4O/c1-14-5-3-4-8(6-14)10-11-9(7-15-2)12-13-10/h3-4,6H,5,7H2,1-2H3,(H,11,12,13)
InChIKeyHHFBYLJWJPWNTE-UHFFFAOYSA-N
XLogP0.79
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine?
The IUPAC name of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine (CID 22614855) is 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine.
What is the SMILES notation for 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine?
The canonical SMILES for 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine is COCc1nc(C2=CN(C)CC=C2)n[nH]1.
What is the InChIKey of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine?
The InChIKey is HHFBYLJWJPWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-14-5-3-4-8(6-14)10-11-9(7-15-2)12-13-10/h3-4,6H,5,7H2,1-2H3,(H,11,12,13).
What are the key properties of 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine?
5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine has a molecular weight of 206.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-1-methyl-2H-pyridine is sourced from PubChem (CID 22614855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).