2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide

C16H16N6O — CID 167828048

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide
SMILESCCCn1ccc2ccc(NC(=O)Cn3cnc(C#N)n3)cc21
InChIInChI=1S/C16H16N6O/c1-2-6-21-7-5-12-3-4-13(8-14(12)21)19-16(23)10-22-11-18-15(9-17)20-22/h3-5,7-8,11H,2,6,10H2,1H3,(H,19,23)
InChIKeyRUYXNUCRJSYCPW-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.15
Rot. Bonds5

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide (PubChem CID 167828048) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide
PubChem CID167828048
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide
SMILESCCCn1ccc2ccc(NC(=O)Cn3cnc(C#N)n3)cc21
InChIInChI=1S/C16H16N6O/c1-2-6-21-7-5-12-3-4-13(8-14(12)21)19-16(23)10-22-11-18-15(9-17)20-22/h3-5,7-8,11H,2,6,10H2,1H3,(H,19,23)
InChIKeyRUYXNUCRJSYCPW-UHFFFAOYSA-N
XLogP2.15
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
CID 71990600
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
CID 120592934
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 167779974
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
N-(5-amino-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 55157356
2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
CID 99715807
3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119797067
N-(3-amino-4-fluorophenyl)-3-(3-cyano-1,2,4-triazol-1-yl)propanamide
CID 62952386

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide (CID 167828048) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide is CCCn1ccc2ccc(NC(=O)Cn3cnc(C#N)n3)cc21.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide?
The InChIKey is RUYXNUCRJSYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-6-21-7-5-12-3-4-13(8-14(12)21)19-16(23)10-22-11-18-15(9-17)20-22/h3-5,7-8,11H,2,6,10H2,1H3,(H,19,23).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide is sourced from PubChem (CID 167828048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).