3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole

C12H10N4O2S — CID 11747751

IUPAC3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
SMILESCS(=O)(=O)c1nncc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-15-11(7-14-16-12)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3
InChIKeyMGLAEDHONMCTLV-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.42
Rot. Bonds2

About 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole

3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole (PubChem CID 11747751) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole.

Molecular Properties

Compound Name3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
PubChem CID11747751
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
SMILESCS(=O)(=O)c1nncc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C12H10N4O2S/c1-19(17,18)12-15-11(7-14-16-12)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3
InChIKeyMGLAEDHONMCTLV-UHFFFAOYSA-N
XLogP1.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-1H-indole
CID 86767790
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole
CID 139242602
4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
2-(1H-indol-3-yl)-7,8-dihydro-6H-quinolin-5-one
CID 13088239
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
1H-indole;3-methylsulfonyl-1H-indole
CID 167634446

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole?
The IUPAC name of 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole (CID 11747751) is 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole.
What is the SMILES notation for 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole?
The canonical SMILES for 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole is CS(=O)(=O)c1nncc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole?
The InChIKey is MGLAEDHONMCTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-19(17,18)12-15-11(7-14-16-12)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3.
What are the key properties of 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole?
3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole has a molecular weight of 274.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole is sourced from PubChem (CID 11747751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).