6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide

C12H12BrN5O — CID 126839807

IUPAC6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESCn1cnc(NC(=O)N2CCc3ccc(Br)cc32)n1
InChIInChI=1S/C12H12BrN5O/c1-17-7-14-11(16-17)15-12(19)18-5-4-8-2-3-9(13)6-10(8)18/h2-3,6-7H,4-5H2,1H3,(H,15,16,19)
InChIKeyFEVHSPGIJMWOKT-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.17
Rot. Bonds1

About 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide

6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 126839807) has the molecular formula C12H12BrN5O and a molecular weight of 322.17 g/mol. Its IUPAC name is 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID126839807
Molecular FormulaC12H12BrN5O
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESCn1cnc(NC(=O)N2CCc3ccc(Br)cc32)n1
InChIInChI=1S/C12H12BrN5O/c1-17-7-14-11(16-17)15-12(19)18-5-4-8-2-3-9(13)6-10(8)18/h2-3,6-7H,4-5H2,1H3,(H,15,16,19)
InChIKeyFEVHSPGIJMWOKT-UHFFFAOYSA-N
XLogP2.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide
CID 126828889
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone
CID 56788362
(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone
CID 56788354
1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119785525
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
CID 119785536
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
6-[(2-amino-4-pyridinyl)oxy]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 71048492
6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
CID 43544036
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119324743
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide (CID 126839807) is 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide is Cn1cnc(NC(=O)N2CCc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is FEVHSPGIJMWOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O/c1-17-7-14-11(16-17)15-12(19)18-5-4-8-2-3-9(13)6-10(8)18/h2-3,6-7H,4-5H2,1H3,(H,15,16,19).
What are the key properties of 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide?
6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 126839807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).