8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one

C10H8N4O2 — CID 137303794

IUPAC8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one
SMILESCOc1ccc2[nH]c3c(=O)[nH]nnc3c2c1
InChIInChI=1S/C10H8N4O2/c1-16-5-2-3-7-6(4-5)8-9(11-7)10(15)13-14-12-8/h2-4,11H,1H3,(H,12,13,15)
InChIKeyRSGUFLLVORFJRJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.81
Rot. Bonds1

About 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one

8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one (PubChem CID 137303794) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one.

Molecular Properties

Compound Name8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one
PubChem CID137303794
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one
SMILESCOc1ccc2[nH]c3c(=O)[nH]nnc3c2c1
InChIInChI=1S/C10H8N4O2/c1-16-5-2-3-7-6(4-5)8-9(11-7)10(15)13-14-12-8/h2-4,11H,1H3,(H,12,13,15)
InChIKeyRSGUFLLVORFJRJ-UHFFFAOYSA-N
XLogP0.81
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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7-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
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3,4-dichloro-6-methoxy-1H-quinolin-2-one
CID 110272519
7,19-dimethoxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 21216832
8-methoxy-2,4-diphenyl-5H-pyrido[3,2-b]indole
CID 132573450
2-methoxy-7-methyl-10H-acridin-9-one
CID 24773760
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
13-amino-4-methoxy-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,15-hexaen-10-one
CID 5305197
6-methoxy-17-thia-2,12,13,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12-heptaen-15-one
CID 135797555
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
4-hydroxy-3-[(4-hydroxy-6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-methoxy-1H-quinolin-2-one
CID 154585320

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one?
The IUPAC name of 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one (CID 137303794) is 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one.
What is the SMILES notation for 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one?
The canonical SMILES for 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one is COc1ccc2[nH]c3c(=O)[nH]nnc3c2c1.
What is the InChIKey of 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one?
The InChIKey is RSGUFLLVORFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-16-5-2-3-7-6(4-5)8-9(11-7)10(15)13-14-12-8/h2-4,11H,1H3,(H,12,13,15).
What are the key properties of 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one?
8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one has a molecular weight of 216.20 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,5-dihydrotriazino[5,4-b]indol-4-one is sourced from PubChem (CID 137303794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).