N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide

C15H17FN6O — CID 122566499

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NCCc1nc(N)n[nH]1
InChIInChI=1S/C15H17FN6O/c1-8-10(9-3-2-4-11(16)14(9)19-8)7-13(23)18-6-5-12-20-15(17)22-21-12/h2-4,19H,5-7H2,1H3,(H,18,23)(H3,17,20,21,22)
InChIKeyRJPLBGFXTTYOHN-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.22
Rot. Bonds5

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 122566499) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID122566499
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NCCc1nc(N)n[nH]1
InChIInChI=1S/C15H17FN6O/c1-8-10(9-3-2-4-11(16)14(9)19-8)7-13(23)18-6-5-12-20-15(17)22-21-12/h2-4,19H,5-7H2,1H3,(H,18,23)(H3,17,20,21,22)
InChIKeyRJPLBGFXTTYOHN-UHFFFAOYSA-N
XLogP1.22
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-2-pyridinyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)acetyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190056
N-{[2-(2-Fluorophenyl)-3-methyl-1H-indol-5-YL]methyl}-3-(5-methyl-1H-1,2,4-triazol-3-YL)propanamide
CID 70769039
1-{2-[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]pyrrolidin-1-YL}-3-(1H-indol-3-YL)propan-1-one
CID 124041132
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 70731563
(5-fluoro-1H-indol-2-yl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53569362
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 53616175
(5-fluoro-1H-indol-2-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53616831
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 56778782
(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
CID 162663509
(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
CID 162676046
1-[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]-2-(1H-indol-3-yl)-1-ethanone
CID 53192133
N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 70732041

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 122566499) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2c(F)cccc2c1CC(=O)NCCc1nc(N)n[nH]1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is RJPLBGFXTTYOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-8-10(9-3-2-4-11(16)14(9)19-8)7-13(23)18-6-5-12-20-15(17)22-21-12/h2-4,19H,5-7H2,1H3,(H,18,23)(H3,17,20,21,22).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 122566499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).