N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine

C21H23N7O — CID 71036068

IUPACN-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine
SMILESCc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)nnc1OCCN(C)C
InChIInChI=1S/C21H23N7O/c1-14-8-4-5-9-15(14)18-20(29-13-12-28(2)3)26-27-21(22-18)23-19-16-10-6-7-11-17(16)24-25-19/h4-11H,12-13H2,1-3H3,(H2,22,23,24,25,27)
InChIKeyXNGBYNCJCZKBLQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.41
Rot. Bonds7

About N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine

N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine (PubChem CID 71036068) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine
PubChem CID71036068
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine
SMILESCc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)nnc1OCCN(C)C
InChIInChI=1S/C21H23N7O/c1-14-8-4-5-9-15(14)18-20(29-13-12-28(2)3)26-27-21(22-18)23-19-16-10-6-7-11-17(16)24-25-19/h4-11H,12-13H2,1-3H3,(H2,22,23,24,25,27)
InChIKeyXNGBYNCJCZKBLQ-UHFFFAOYSA-N
XLogP3.41
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine (CID 71036068) is N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine is Cc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)nnc1OCCN(C)C.
What is the InChIKey of N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
The InChIKey is XNGBYNCJCZKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-14-8-4-5-9-15(14)18-20(29-13-12-28(2)3)26-27-21(22-18)23-19-16-10-6-7-11-17(16)24-25-19/h4-11H,12-13H2,1-3H3,(H2,22,23,24,25,27).
What are the key properties of N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine has a molecular weight of 389.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethoxy]-5-(2-methylphenyl)-1,2,4-triazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 71036068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).