N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine

C20H20N6 — CID 101017415

IUPACN-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine
SMILESCc1nnc(NCCc2cn(Cc3ccccc3)c3ccccc23)nn1
InChIInChI=1S/C20H20N6/c1-15-22-24-20(25-23-15)21-12-11-17-14-26(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-10,14H,11-13H2,1H3,(H,21,24,25)
InChIKeyLBRDURQPQODXPS-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine

N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine (PubChem CID 101017415) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine
PubChem CID101017415
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC NameN-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine
SMILESCc1nnc(NCCc2cn(Cc3ccccc3)c3ccccc23)nn1
InChIInChI=1S/C20H20N6/c1-15-22-24-20(25-23-15)21-12-11-17-14-26(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-10,14H,11-13H2,1H3,(H,21,24,25)
InChIKeyLBRDURQPQODXPS-UHFFFAOYSA-N
XLogP3.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine?
The IUPAC name of N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine (CID 101017415) is N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine?
The canonical SMILES for N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine is Cc1nnc(NCCc2cn(Cc3ccccc3)c3ccccc23)nn1.
What is the InChIKey of N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine?
The InChIKey is LBRDURQPQODXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-15-22-24-20(25-23-15)21-12-11-17-14-26(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-10,14H,11-13H2,1H3,(H,21,24,25).
What are the key properties of N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine?
N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine has a molecular weight of 344.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylindol-3-yl)ethyl]-6-methyl-1,2,4,5-tetrazin-3-amine is sourced from PubChem (CID 101017415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).