N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide

C19H23N5O — CID 91829817

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1nncn1C1CCCCC1
InChIInChI=1S/C19H23N5O/c25-19(13-23-11-10-15-6-4-5-9-17(15)23)20-12-18-22-21-14-24(18)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,20,25)
InChIKeyLRLJDYXSLXZKKH-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide (PubChem CID 91829817) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
PubChem CID91829817
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NCc1nncn1C1CCCCC1
InChIInChI=1S/C19H23N5O/c25-19(13-23-11-10-15-6-4-5-9-17(15)23)20-12-18-22-21-14-24(18)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,20,25)
InChIKeyLRLJDYXSLXZKKH-UHFFFAOYSA-N
XLogP3.05
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide (CID 91829817) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide?
The InChIKey is LRLJDYXSLXZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(13-23-11-10-15-6-4-5-9-17(15)23)20-12-18-22-21-14-24(18)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,20,25).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide has a molecular weight of 337.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 91829817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).