5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one

C10H8N4O — CID 776913

IUPAC5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one
SMILESCn1c2ccccc2c2n[nH]c(=O)nc21
InChIInChI=1S/C10H8N4O/c1-14-7-5-3-2-4-6(7)8-9(14)11-10(15)13-12-8/h2-5H,1H3,(H,11,13,15)
InChIKeyMPMSIOGTIXPOPU-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.81
Rot. Bonds

About 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one

5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one (PubChem CID 776913) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one.

Molecular Properties

Compound Name5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one
PubChem CID776913
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one
SMILESCn1c2ccccc2c2n[nH]c(=O)nc21
InChIInChI=1S/C10H8N4O/c1-14-7-5-3-2-4-6(7)8-9(14)11-10(15)13-12-8/h2-5H,1H3,(H,11,13,15)
InChIKeyMPMSIOGTIXPOPU-UHFFFAOYSA-N
XLogP0.81
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-mercapto-5H-1,2,4-triazino(5,6-b)indole-5-acetic acid
CID 685919
5-Methyl-5H-as-triazino(5,6-b)indole-3-thiol
CID 685094
5-ethyl-8-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
CID 718205
5H-[1,2,4]Triazino[5,6-b]indole-3-thiol
CID 135403808
5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 9815578
8-Fluoro-5-phenethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 941673
5-benzyl-2-methyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione
CID 2816440
5-Allyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 685093
2,5-Dihydro-5-(2-phenylethyl)-3H-1,2,4-triazino[5,6-b]indole-3-thione
CID 700555
9-(2-Diethylamino-ethyl)-9H-1,3,4,9-tetraaza-fluorene-2-thiol
CID 937851
8-Methyl-5-propyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 941411
5-ethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
CID 752131

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one?
The IUPAC name of 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one (CID 776913) is 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one.
What is the SMILES notation for 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one?
The canonical SMILES for 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one is Cn1c2ccccc2c2n[nH]c(=O)nc21.
What is the InChIKey of 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one?
The InChIKey is MPMSIOGTIXPOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-14-7-5-3-2-4-6(7)8-9(14)11-10(15)13-12-8/h2-5H,1H3,(H,11,13,15).
What are the key properties of 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one?
5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one has a molecular weight of 200.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-[1,2,4]triazino[5,6-b]indol-3-one is sourced from PubChem (CID 776913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).