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

C15H15N5O — CID 114388989

IUPAC4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1nccnn1
InChIInChI=1S/C15H15N5O/c21-14(19-15-16-8-9-18-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,19,20,21)
InChIKeyZPLUPQOXHCTLFM-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.31
Rot. Bonds5

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

4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide (PubChem CID 114388989) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
PubChem CID114388989
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1nccnn1
InChIInChI=1S/C15H15N5O/c21-14(19-15-16-8-9-18-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,19,20,21)
InChIKeyZPLUPQOXHCTLFM-UHFFFAOYSA-N
XLogP2.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)propanamide
CID 104919505
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-(1H-indol-3-yl)butanamide
CID 588715
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
4-(1H-indol-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 38782444
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide (CID 114388989) is 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1nccnn1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide?
The InChIKey is ZPLUPQOXHCTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-14(19-15-16-8-9-18-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,19,20,21).
What are the key properties of 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide?
4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide has a molecular weight of 281.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 114388989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).