4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one

C15H18N6O2 — CID 4979636

IUPAC4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
SMILESCOc1ccc2[nH]cc(CCNc3nnc(C)c(=O)n3N)c2c1
InChIInChI=1S/C15H18N6O2/c1-9-14(22)21(16)15(20-19-9)17-6-5-10-8-18-13-4-3-11(23-2)7-12(10)13/h3-4,7-8,18H,5-6,16H2,1-2H3,(H,17,20)
InChIKeyDYHWBIMWUZAMRZ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.81
Rot. Bonds5

About 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one

4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one (PubChem CID 4979636) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
PubChem CID4979636
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
SMILESCOc1ccc2[nH]cc(CCNc3nnc(C)c(=O)n3N)c2c1
InChIInChI=1S/C15H18N6O2/c1-9-14(22)21(16)15(20-19-9)17-6-5-10-8-18-13-4-3-11(23-2)7-12(10)13/h3-4,7-8,18H,5-6,16H2,1-2H3,(H,17,20)
InChIKeyDYHWBIMWUZAMRZ-UHFFFAOYSA-N
XLogP0.81
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one with MolForge

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Related Compounds

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135399573
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135100266
7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
CID 57329531
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71826977
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 24850006

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one (CID 4979636) is 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one is COc1ccc2[nH]cc(CCNc3nnc(C)c(=O)n3N)c2c1.
What is the InChIKey of 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one?
The InChIKey is DYHWBIMWUZAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9-14(22)21(16)15(20-19-9)17-6-5-10-8-18-13-4-3-11(23-2)7-12(10)13/h3-4,7-8,18H,5-6,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one?
4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one has a molecular weight of 314.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 4979636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).