1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine

C19H20N6O — CID 20789021

IUPAC1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN(C)C)n4)cc23)cc1
InChIInChI=1S/C19H20N6O/c1-25(2)11-17-20-19(24-22-17)13-6-9-16-15(10-13)18(23-21-16)12-4-7-14(26-3)8-5-12/h4-10H,11H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyIOYNIYXKSRIOKQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine

1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 20789021) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
PubChem CID20789021
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN(C)C)n4)cc23)cc1
InChIInChI=1S/C19H20N6O/c1-25(2)11-17-20-19(24-22-17)13-6-9-16-15(10-13)18(23-21-16)12-4-7-14(26-3)8-5-12/h4-10H,11H2,1-3H3,(H,21,23)(H,20,22,24)
InChIKeyIOYNIYXKSRIOKQ-UHFFFAOYSA-N
XLogP3.09
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine (CID 20789021) is 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine is COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN(C)C)n4)cc23)cc1.
What is the InChIKey of 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is IOYNIYXKSRIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-25(2)11-17-20-19(24-22-17)13-6-9-16-15(10-13)18(23-21-16)12-4-7-14(26-3)8-5-12/h4-10H,11H2,1-3H3,(H,21,23)(H,20,22,24).
What are the key properties of 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 348.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 20789021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).