1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole

C12H15N3O — CID 134507822

IUPAC1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole
SMILESCOc1c(C(C)C)cccc1-n1cncn1
InChIInChI=1S/C12H15N3O/c1-9(2)10-5-4-6-11(12(10)16-3)15-8-13-7-14-15/h4-9H,1-3H3
InChIKeyZSMHWDGYHJOGKW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.40
Rot. Bonds3

About 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole

1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole (PubChem CID 134507822) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole
PubChem CID134507822
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole
SMILESCOc1c(C(C)C)cccc1-n1cncn1
InChIInChI=1S/C12H15N3O/c1-9(2)10-5-4-6-11(12(10)16-3)15-8-13-7-14-15/h4-9H,1-3H3
InChIKeyZSMHWDGYHJOGKW-UHFFFAOYSA-N
XLogP2.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole (CID 134507822) is 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole is COc1c(C(C)C)cccc1-n1cncn1.
What is the InChIKey of 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole?
The InChIKey is ZSMHWDGYHJOGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(2)10-5-4-6-11(12(10)16-3)15-8-13-7-14-15/h4-9H,1-3H3.
What are the key properties of 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole?
1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole has a molecular weight of 217.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-propan-2-ylphenyl)-1,2,4-triazole is sourced from PubChem (CID 134507822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).