4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C19H23N7 — CID 140521192

IUPAC4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCNC5CCCCC54)n3)cc12
InChIInChI=1S/C19H23N7/c1-12-14-10-13(6-7-15(14)24-23-12)19-22-18(11-21-25-19)26-9-8-20-16-4-2-3-5-17(16)26/h6-7,10-11,16-17,20H,2-5,8-9H2,1H3,(H,23,24)
InChIKeyXBIBAUFKJARVER-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.44
Rot. Bonds2

About 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 140521192) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID140521192
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCc1[nH]nc2ccc(-c3nncc(N4CCNC5CCCCC54)n3)cc12
InChIInChI=1S/C19H23N7/c1-12-14-10-13(6-7-15(14)24-23-12)19-22-18(11-21-25-19)26-9-8-20-16-4-2-3-5-17(16)26/h6-7,10-11,16-17,20H,2-5,8-9H2,1H3,(H,23,24)
InChIKeyXBIBAUFKJARVER-UHFFFAOYSA-N
XLogP2.44
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperidin-3-amine
CID 11673967
3-methyl-5-[5-(3-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-2H-indazole
CID 91521289
2-[4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanol
CID 143269918
5-[5-(3,3-dibenzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11670098
5-[5-[(3S)-3-benzyl-4-methylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11639917
3-(3-methyl-2H-indazol-5-yl)-5-(3-methylpiperazin-1-yl)-1,2,4-triazin-6-amine
CID 73035751
5-[6-chloro-3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-5-ium
CID 87649837
5-[5-(3-benzylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3-chloro-2H-indazole
CID 91590115
5-[6-chloro-5-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11610415
5-[5-[(3S)-3-benzylpiperazin-1-yl]-6-chloro-1,2,4-triazin-3-yl]-3-methyl-2H-indazole
CID 11553539
(4aS,8aS)-4-(3,4-dimethylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 124675905
2-(2-pyrrolidin-2-ylpiperidin-1-yl)quinoxaline
CID 63254716

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 140521192) is 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is Cc1[nH]nc2ccc(-c3nncc(N4CCNC5CCCCC54)n3)cc12.
What is the InChIKey of 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is XBIBAUFKJARVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-12-14-10-13(6-7-15(14)24-23-12)19-22-18(11-21-25-19)26-9-8-20-16-4-2-3-5-17(16)26/h6-7,10-11,16-17,20H,2-5,8-9H2,1H3,(H,23,24).
What are the key properties of 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 349.44 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-2H-indazol-5-yl)-1,2,4-triazin-5-yl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 140521192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).