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

C19H18N6O2 — CID 20789022

IUPAC1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc5c(c4)OCO5)c3c2)n[nH]1
InChIInChI=1S/C19H18N6O2/c1-25(2)9-17-20-19(24-22-17)12-3-5-14-13(7-12)18(23-21-14)11-4-6-15-16(8-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyMVNLDZPCMZPIFW-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.81
Rot. Bonds4

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

1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 20789022) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
PubChem CID20789022
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc5c(c4)OCO5)c3c2)n[nH]1
InChIInChI=1S/C19H18N6O2/c1-25(2)9-17-20-19(24-22-17)12-3-5-14-13(7-12)18(23-21-14)11-4-6-15-16(8-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyMVNLDZPCMZPIFW-UHFFFAOYSA-N
XLogP2.81
TPSA91.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine (CID 20789022) is 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine is CN(C)Cc1nc(-c2ccc3[nH]nc(-c4ccc5c(c4)OCO5)c3c2)n[nH]1.
What is the InChIKey of 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is MVNLDZPCMZPIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-25(2)9-17-20-19(24-22-17)12-3-5-14-13(7-12)18(23-21-14)11-4-6-15-16(8-11)27-10-26-15/h3-8H,9-10H2,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 362.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1,3-benzodioxol-5-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 20789022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).