4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

C15H14N6O2 — CID 576153

IUPAC4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN1C(=O)N(C)C2=NNC=NC2(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C15H14N6O2/c1-20-12-15(17-8-18-19-12,13(22)21(2)14(20)23)10-7-16-11-6-4-3-5-9(10)11/h3-8,16H,1-2H3,(H,17,18)
InChIKeyOBPLSKVUCOIMGR-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.83
Rot. Bonds1

About 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (PubChem CID 576153) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.

Molecular Properties

Compound Name4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
PubChem CID576153
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
SMILESCN1C(=O)N(C)C2=NNC=NC2(c2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C15H14N6O2/c1-20-12-15(17-8-18-19-12,13(22)21(2)14(20)23)10-7-16-11-6-4-3-5-9(10)11/h3-8,16H,1-2H3,(H,17,18)
InChIKeyOBPLSKVUCOIMGR-UHFFFAOYSA-N
XLogP0.83
TPSA93.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

(3aS,8bR)-8b-(1H-indol-3-yl)-3,4,8-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one
CID 132550370
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842313
5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 25098653
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859408
(9S)-7-(disulfanyl)-9-(1H-indol-3-yl)-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
CID 144641295
5-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 135014319
(1S,9R)-9-(1H-indol-3-yl)-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,4,6-trione
CID 102443816
4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazol-5-one
CID 155929407
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506

Frequently Asked Questions

What is the IUPAC name of 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The IUPAC name of 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione (CID 576153) is 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione.
What is the SMILES notation for 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The canonical SMILES for 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is CN1C(=O)N(C)C2=NNC=NC2(c2c[nH]c3ccccc23)C1=O.
What is the InChIKey of 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
The InChIKey is OBPLSKVUCOIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-20-12-15(17-8-18-19-12,13(22)21(2)14(20)23)10-7-16-11-6-4-3-5-9(10)11/h3-8,16H,1-2H3,(H,17,18).
What are the key properties of 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione?
4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione has a molecular weight of 310.32 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(1H-indol-3-yl)-6,8-dimethyl-2H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione is sourced from PubChem (CID 576153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).