2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide

C18H15N5O2 — CID 6416691

IUPAC2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C18H15N5O2/c1-11(25-12-7-3-2-4-8-12)17(24)21-18-20-16-15(22-23-18)13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,19,20,21,23,24)
InChIKeyYZAXPQAMOMPZGR-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.91
Rot. Bonds4

About 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide

2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide (PubChem CID 6416691) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide
PubChem CID6416691
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C18H15N5O2/c1-11(25-12-7-3-2-4-8-12)17(24)21-18-20-16-15(22-23-18)13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,19,20,21,23,24)
InChIKeyYZAXPQAMOMPZGR-UHFFFAOYSA-N
XLogP2.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
CID 2157344
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)adamantane-1-carboxamide
CID 6416946
(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1365329
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate
CID 19204589
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
(2R)-N-(6-methyl-2-pyridinyl)-2-phenoxypropanamide
CID 836214

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide?
The IUPAC name of 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide (CID 6416691) is 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide?
The canonical SMILES for 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide is CC(Oc1ccccc1)C(=O)Nc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide?
The InChIKey is YZAXPQAMOMPZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11(25-12-7-3-2-4-8-12)17(24)21-18-20-16-15(22-23-18)13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,19,20,21,23,24).
What are the key properties of 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide?
2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide has a molecular weight of 333.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide is sourced from PubChem (CID 6416691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).