1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole

C18H19N5O — CID 141280998

IUPAC1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole
SMILESCOc1cc(N2c3ccccc3CN2C)ccc1-n1cnc(C)n1
InChIInChI=1S/C18H19N5O/c1-13-19-12-22(20-13)17-9-8-15(10-18(17)24-3)23-16-7-5-4-6-14(16)11-21(23)2/h4-10,12H,11H2,1-3H3
InChIKeyVXNXZGZDHVEJOT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.08
Rot. Bonds3

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

1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole (PubChem CID 141280998) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole.

Molecular Properties

Compound Name1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole
PubChem CID141280998
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole
SMILESCOc1cc(N2c3ccccc3CN2C)ccc1-n1cnc(C)n1
InChIInChI=1S/C18H19N5O/c1-13-19-12-22(20-13)17-9-8-15(10-18(17)24-3)23-16-7-5-4-6-14(16)11-21(23)2/h4-10,12H,11H2,1-3H3
InChIKeyVXNXZGZDHVEJOT-UHFFFAOYSA-N
XLogP3.08
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole?
The IUPAC name of 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole (CID 141280998) is 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole.
What is the SMILES notation for 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole?
The canonical SMILES for 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole is COc1cc(N2c3ccccc3CN2C)ccc1-n1cnc(C)n1.
What is the InChIKey of 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole?
The InChIKey is VXNXZGZDHVEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-19-12-22(20-13)17-9-8-15(10-18(17)24-3)23-16-7-5-4-6-14(16)11-21(23)2/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole?
1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole has a molecular weight of 321.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-2-methyl-3H-indazole is sourced from PubChem (CID 141280998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).