2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide

C16H19N5O — CID 137214520

IUPAC2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C16H19N5O/c1-16(2,3)21-15(19-14(20-21)8-13(17)22)11-9-18-12-7-5-4-6-10(11)12/h4-7,9,18H,8H2,1-3H3,(H2,17,22)
InChIKeySJSAMZOETQCARA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.21
Rot. Bonds3

About 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 137214520) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID137214520
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCC(C)(C)n1nc(CC(N)=O)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C16H19N5O/c1-16(2,3)21-15(19-14(20-21)8-13(17)22)11-9-18-12-7-5-4-6-10(11)12/h4-7,9,18H,8H2,1-3H3,(H2,17,22)
InChIKeySJSAMZOETQCARA-UHFFFAOYSA-N
XLogP2.21
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-1H-indole
CID 5061070
ethyl (2S)-2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 136803232
N-tert-butyl-2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135724535
ethyl 2-[[4-(4-fluorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 4172915
ethyl (2R)-2-[[5-(1H-indol-3-yl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 135893334
1-[2-(1H-indol-3-yl)phenyl]propan-1-one
CID 174611519
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
ethyl (2R)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 135768486
2-(4-methyl-1H-indol-3-yl)acetamide
CID 24905096
4-(1H-indol-3-yl)butanamide
CID 588715
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528

Frequently Asked Questions

What is the IUPAC name of 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide (CID 137214520) is 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide is CC(C)(C)n1nc(CC(N)=O)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is SJSAMZOETQCARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-16(2,3)21-15(19-14(20-21)8-13(17)22)11-9-18-12-7-5-4-6-10(11)12/h4-7,9,18H,8H2,1-3H3,(H2,17,22).
What are the key properties of 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 137214520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).