3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole

C22H24N6 — CID 22519480

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCc1cccc(N2CCN(c3nnc4c5ccccc5n(C)c4n3)CC2)c1C
InChIInChI=1S/C22H24N6/c1-15-7-6-10-18(16(15)2)27-11-13-28(14-12-27)22-23-21-20(24-25-22)17-8-4-5-9-19(17)26(21)3/h4-10H,11-14H2,1-3H3
InChIKeyWTAQULRJSNYKEX-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.46
Rot. Bonds2

About 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole (PubChem CID 22519480) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole
PubChem CID22519480
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole
SMILESCc1cccc(N2CCN(c3nnc4c5ccccc5n(C)c4n3)CC2)c1C
InChIInChI=1S/C22H24N6/c1-15-7-6-10-18(16(15)2)27-11-13-28(14-12-27)22-23-21-20(24-25-22)17-8-4-5-9-19(17)26(21)3/h4-10H,11-14H2,1-3H3
InChIKeyWTAQULRJSNYKEX-UHFFFAOYSA-N
XLogP3.46
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)morpholine
CID 6414498
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
CID 59010754
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112957485
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948909
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
CID 112923593
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110383480
8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
CID 117058463
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-fluorophenyl)-6-methylpyrimidin-4-amine
CID 112923595
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole (CID 22519480) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole is Cc1cccc(N2CCN(c3nnc4c5ccccc5n(C)c4n3)CC2)c1C.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole?
The InChIKey is WTAQULRJSNYKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-15-7-6-10-18(16(15)2)27-11-13-28(14-12-27)22-23-21-20(24-25-22)17-8-4-5-9-19(17)26(21)3/h4-10H,11-14H2,1-3H3.
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole has a molecular weight of 372.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazino[5,6-b]indole is sourced from PubChem (CID 22519480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).