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

C13H12N4O — CID 23228256

IUPAC3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
SMILESCOCc1nc(-c2cnc3ccccc3c2)n[nH]1
InChIInChI=1S/C13H12N4O/c1-18-8-12-15-13(17-16-12)10-6-9-4-2-3-5-11(9)14-7-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyJZGHQXLRYGLSDN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.17
Rot. Bonds3

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

3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline (PubChem CID 23228256) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline.

Molecular Properties

Compound Name3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
PubChem CID23228256
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
SMILESCOCc1nc(-c2cnc3ccccc3c2)n[nH]1
InChIInChI=1S/C13H12N4O/c1-18-8-12-15-13(17-16-12)10-6-9-4-2-3-5-11(9)14-7-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyJZGHQXLRYGLSDN-UHFFFAOYSA-N
XLogP2.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxypyridine
CID 72937172
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
CID 918325
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
3-(1H-pyrazol-4-yl)quinoline
CID 90943604
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229
3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
CID 119070580
3-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]quinoline
CID 135497878
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
CID 75202416
3-(1H-pyrazol-5-yl)quinoline
CID 22660698

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline?
The IUPAC name of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline (CID 23228256) is 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline.
What is the SMILES notation for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline?
The canonical SMILES for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline is COCc1nc(-c2cnc3ccccc3c2)n[nH]1.
What is the InChIKey of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline?
The InChIKey is JZGHQXLRYGLSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-8-12-15-13(17-16-12)10-6-9-4-2-3-5-11(9)14-7-10/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline?
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline has a molecular weight of 240.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline is sourced from PubChem (CID 23228256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).