2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C13H13N5O2 — CID 83093520

IUPAC2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H13N5O2/c1-20-13-16-12(17-18-13)15-11(19)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyFWNGCLPRTXOLEB-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83093520) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83093520
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H13N5O2/c1-20-13-16-12(17-18-13)15-11(19)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyFWNGCLPRTXOLEB-UHFFFAOYSA-N
XLogP1.48
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1H-indazole-3-carboxamide
CID 83086847
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71709801
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 154786179
N-(2,4-diethoxypyrimidin-5-yl)-2-(1H-indol-3-yl)acetamide
CID 122304294
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyrazol-1-ylacetamide
CID 83093046

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83093520) is 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is FWNGCLPRTXOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-20-13-16-12(17-18-13)15-11(19)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83093520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).