1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole

C16H20N6O — CID 126810867

IUPAC1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole
SMILESCC(C)Cn1ncnc1COc1ccc(-c2ncn(C)n2)cc1
InChIInChI=1S/C16H20N6O/c1-12(2)8-22-15(17-10-19-22)9-23-14-6-4-13(5-7-14)16-18-11-21(3)20-16/h4-7,10-12H,8-9H2,1-3H3
InChIKeyFVAJLOSBYWVNJD-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.31
Rot. Bonds6

About 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole

1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole (PubChem CID 126810867) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole
PubChem CID126810867
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole
SMILESCC(C)Cn1ncnc1COc1ccc(-c2ncn(C)n2)cc1
InChIInChI=1S/C16H20N6O/c1-12(2)8-22-15(17-10-19-22)9-23-14-6-4-13(5-7-14)16-18-11-21(3)20-16/h4-7,10-12H,8-9H2,1-3H3
InChIKeyFVAJLOSBYWVNJD-UHFFFAOYSA-N
XLogP2.31
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole with MolForge

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Related Compounds

2-(bromomethyl)-5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]pyridine
CID 79799849
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]pyridine-2-carboxylic acid
CID 79794957
5-[(4-butan-2-ylphenoxy)methyl]-1-propyl-1,2,4-triazole
CID 107669021
N-[[5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782045
2-chloro-4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]benzenecarbothioamide
CID 102724145
5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462
5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 114320715
(1S)-1-[4-bromo-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]ethanamine
CID 102946997
[4-methyl-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine
CID 107655986
[2-chloro-6-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]methanamine
CID 114318320
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]thiophene-2-carboxylic acid
CID 66438006
1-(4-chlorophenoxy)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 105160739

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole (CID 126810867) is 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole is CC(C)Cn1ncnc1COc1ccc(-c2ncn(C)n2)cc1.
What is the InChIKey of 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole?
The InChIKey is FVAJLOSBYWVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-12(2)8-22-15(17-10-19-22)9-23-14-6-4-13(5-7-14)16-18-11-21(3)20-16/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole?
1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole has a molecular weight of 312.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]phenyl]-1,2,4-triazole is sourced from PubChem (CID 126810867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).