1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole

C15H18N6O — CID 50961121

IUPAC1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1-c1ncn[nH]1
InChIInChI=1S/C15H18N6O/c1-10(2)8-13-18-15(14-16-9-17-19-14)21(20-13)11-6-4-5-7-12(11)22-3/h4-7,9-10H,8H2,1-3H3,(H,16,17,19)
InChIKeyWUGAIXPOXCGJFE-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.26
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole

1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole (PubChem CID 50961121) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
PubChem CID50961121
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1-c1ncn[nH]1
InChIInChI=1S/C15H18N6O/c1-10(2)8-13-18-15(14-16-9-17-19-14)21(20-13)11-6-4-5-7-12(11)22-3/h4-7,9-10H,8H2,1-3H3,(H,16,17,19)
InChIKeyWUGAIXPOXCGJFE-UHFFFAOYSA-N
XLogP2.26
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
CID 50950566
3-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 50955479
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
CID 95122009
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50979759
3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
CID 50983362
1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
CID 50973008
2-[5-(3,5-dimethylimidazol-4-yl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155505274
5-[2-(2-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-1-methylpyrimidine-2,4-dione
CID 72853213
1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 70266988
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
1-(2-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5007963
3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
CID 50962318

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole (CID 50961121) is 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole is COc1ccccc1-n1nc(CC(C)C)nc1-c1ncn[nH]1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
The InChIKey is WUGAIXPOXCGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10(2)8-13-18-15(14-16-9-17-19-14)21(20-13)11-6-4-5-7-12(11)22-3/h4-7,9-10H,8H2,1-3H3,(H,16,17,19).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole has a molecular weight of 298.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 50961121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).