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

C9H10N4O — CID 46398007

IUPAC2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H10N4O/c1-14-6-8-11-9(13-12-8)7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyOFHDUUSEBZMLNT-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.01
Rot. Bonds3

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

2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 46398007) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID46398007
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCOCc1nc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H10N4O/c1-14-6-8-11-9(13-12-8)7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyOFHDUUSEBZMLNT-UHFFFAOYSA-N
XLogP1.01
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CID 12787364
5-(pyridin-2-yl)-4H-1,2,4-triazol-3-amine
CID 12011792
2-methyl-4-(3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 20309749
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839983
4-(5-Methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 13500899
2-(1H-1,2,4-triazol-3-yl)pyridine
CID 10898842
3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 13926283

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 46398007) is 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine is COCc1nc(-c2ccccn2)n[nH]1.
What is the InChIKey of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is OFHDUUSEBZMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-6-8-11-9(13-12-8)7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 190.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 46398007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).