1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole

C14H15N5O — CID 50973008

IUPAC1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(C)nc1-c1cc(C)[nH]n1
InChIInChI=1S/C14H15N5O/c1-9-8-11(17-16-9)14-15-10(2)18-19(14)12-6-4-5-7-13(12)20-3/h4-8H,1-3H3,(H,16,17)
InChIKeyKZBJQZZGQJIWLE-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.28
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole

1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole (PubChem CID 50973008) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
PubChem CID50973008
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
SMILESCOc1ccccc1-n1nc(C)nc1-c1cc(C)[nH]n1
InChIInChI=1S/C14H15N5O/c1-9-8-11(17-16-9)14-15-10(2)18-19(14)12-6-4-5-7-13(12)20-3/h4-8H,1-3H3,(H,16,17)
InChIKeyKZBJQZZGQJIWLE-UHFFFAOYSA-N
XLogP2.28
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]methylsulfanyl]pyridine
CID 50959715
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
(3R)-3-[2-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 56719826
1-(2-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 70266988
3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 50961121
5-chloro-4-(chloromethyl)-1-(2-methoxyphenyl)-3-methylpyrazole
CID 63033333
3-tert-butyl-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 58171700
1-(2-methoxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 71563706
5-tert-butyl-1-(2-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 58157323
6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
CID 50950566
3-[1-(2-methoxyphenyl)-5-methylpyrazol-4-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 82527995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole (CID 50973008) is 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole is COc1ccccc1-n1nc(C)nc1-c1cc(C)[nH]n1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole?
The InChIKey is KZBJQZZGQJIWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-8-11(17-16-9)14-15-10(2)18-19(14)12-6-4-5-7-13(12)20-3/h4-8H,1-3H3,(H,16,17).
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole?
1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole has a molecular weight of 269.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 50973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).