6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole

C15H18N4O — CID 146482460

IUPAC6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccccc1-c1n[nH]c2nc(C(C)(C)C)cn12
InChIInChI=1S/C15H18N4O/c1-15(2,3)12-9-19-13(17-18-14(19)16-12)10-7-5-6-8-11(10)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyRNGUCEJNASUYHY-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.03
Rot. Bonds2

About 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole

6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole (PubChem CID 146482460) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole
PubChem CID146482460
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccccc1-c1n[nH]c2nc(C(C)(C)C)cn12
InChIInChI=1S/C15H18N4O/c1-15(2,3)12-9-19-13(17-18-14(19)16-12)10-7-5-6-8-11(10)20-4/h5-9H,1-4H3,(H,16,18)
InChIKeyRNGUCEJNASUYHY-UHFFFAOYSA-N
XLogP3.03
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-(2-methoxyphenyl)-1H-imidazo[1,2-b][1,2,4]triazole
CID 146482462
4-ethyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 748123
4-(2-methoxyethyl)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 18524099
2-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-6-methylimidazo[1,2-a]pyridine
CID 132572546
3-tert-butyl-5-(2-methoxyphenyl)-1,2-oxazole
CID 129255453
6-tert-butyl-3-(2-methoxyphenyl)-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
CID 135888190
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62192683
3-(2-methoxyphenyl)-4-[(4-methylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 950966
4-[(2-chlorophenyl)methylamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 4726790
[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
3-(2-methoxyphenyl)-4-[(Z)-(2-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 5425231
(6R)-3-(2-methoxyphenyl)-6-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7052140

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole (CID 146482460) is 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole is COc1ccccc1-c1n[nH]c2nc(C(C)(C)C)cn12.
What is the InChIKey of 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole?
The InChIKey is RNGUCEJNASUYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2,3)12-9-19-13(17-18-14(19)16-12)10-7-5-6-8-11(10)20-4/h5-9H,1-4H3,(H,16,18).
What are the key properties of 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole?
6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole has a molecular weight of 270.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 146482460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).