1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone

C14H17N5O — CID 115682421

IUPAC1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCc3cnnn3C)ccc21
InChIInChI=1S/C14H17N5O/c1-10(20)19-6-5-11-7-12(3-4-14(11)19)15-8-13-9-16-17-18(13)2/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyIEARXWJHSJAHGG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.34
Rot. Bonds3

About 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 115682421) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID115682421
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NCc3cnnn3C)ccc21
InChIInChI=1S/C14H17N5O/c1-10(20)19-6-5-11-7-12(3-4-14(11)19)15-8-13-9-16-17-18(13)2/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyIEARXWJHSJAHGG-UHFFFAOYSA-N
XLogP1.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151
4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoic acid
CID 110452215
1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 106935907
1-[5-[(3-fluorophenyl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 43230566
methyl 4-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]benzoate
CID 110452261
3-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]-1H-quinolin-2-one
CID 86812574
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
5-[[(1-acetyl-2,3-dihydroindol-5-yl)amino]methyl]furan-2-carbonitrile
CID 115652501
1-[5-[(3-methyloxetan-3-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 107234999

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone (CID 115682421) is 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NCc3cnnn3C)ccc21.
What is the InChIKey of 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is IEARXWJHSJAHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10(20)19-6-5-11-7-12(3-4-14(11)19)15-8-13-9-16-17-18(13)2/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 115682421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).