7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione

C13H11FN4O2 — CID 107043758

IUPAC7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1cn(C)nn1
InChIInChI=1S/C13H11FN4O2/c1-7-3-9-11(10(14)4-7)18(13(20)12(9)19)6-8-5-17(2)16-15-8/h3-5H,6H2,1-2H3
InChIKeyDWIHBQKWOWJPHO-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.99
Rot. Bonds2

About 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione

7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione (PubChem CID 107043758) has the molecular formula C13H11FN4O2 and a molecular weight of 274.26 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione
PubChem CID107043758
Molecular FormulaC13H11FN4O2
Molecular Weight274.26 g/mol
Exact Mass274.09
IUPAC Name7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1cn(C)nn1
InChIInChI=1S/C13H11FN4O2/c1-7-3-9-11(10(14)4-7)18(13(20)12(9)19)6-8-5-17(2)16-15-8/h3-5H,6H2,1-2H3
InChIKeyDWIHBQKWOWJPHO-UHFFFAOYSA-N
XLogP0.99
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione with MolForge

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Related Compounds

7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
CID 61356951
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575
7-fluoro-5-methyl-1-(2-propylsulfonylethyl)indole-2,3-dione
CID 106726077
1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
CID 61356665
1-[(2-chloro-3-pyridinyl)methyl]-7-fluoro-5-methylindole-2,3-dione
CID 62470818
1-(2,3-dihydroxypropyl)-7-fluoro-5-methylindole-2,3-dione
CID 82850929
5,7-difluoro-1-[(2-methyltetrazol-5-yl)methyl]indole-2,3-dione
CID 107043757
7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388321
7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61355002
7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072215
1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
CID 65007464

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione (CID 107043758) is 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1cn(C)nn1.
What is the InChIKey of 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is DWIHBQKWOWJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c1-7-3-9-11(10(14)4-7)18(13(20)12(9)19)6-8-5-17(2)16-15-8/h3-5H,6H2,1-2H3.
What are the key properties of 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione?
7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 274.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 107043758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).