N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide

C17H19N5O — CID 162628292

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
SMILESCc1nnc(NC(=O)CCCc2c[nH]c3ccccc23)nc1C
InChIInChI=1S/C17H19N5O/c1-11-12(2)21-22-17(19-11)20-16(23)9-5-6-13-10-18-15-8-4-3-7-14(13)15/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,19,20,22,23)
InChIKeyJNLHYRXQSZVRDD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.93
Rot. Bonds5

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide (PubChem CID 162628292) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
PubChem CID162628292
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
SMILESCc1nnc(NC(=O)CCCc2c[nH]c3ccccc23)nc1C
InChIInChI=1S/C17H19N5O/c1-11-12(2)21-22-17(19-11)20-16(23)9-5-6-13-10-18-15-8-4-3-7-14(13)15/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,19,20,22,23)
InChIKeyJNLHYRXQSZVRDD-UHFFFAOYSA-N
XLogP2.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
CID 114388989
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-4-(1H-indol-3-yl)butanamide
CID 134699682
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500
4-(1H-indol-3-yl)butanamide
CID 588715
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
4-[4-(1H-indol-3-yl)butanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19405981
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)-N-isoquinolin-5-ylbutanamide
CID 29371800

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide (CID 162628292) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide is Cc1nnc(NC(=O)CCCc2c[nH]c3ccccc23)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is JNLHYRXQSZVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-12(2)21-22-17(19-11)20-16(23)9-5-6-13-10-18-15-8-4-3-7-14(13)15/h3-4,7-8,10,18H,5-6,9H2,1-2H3,(H,19,20,22,23).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 309.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 162628292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).