N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide

C17H21N5OS — CID 6414823

IUPACN,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSc1nnc2c3ccccc3n(C)c2n1
InChIInChI=1S/C17H21N5OS/c1-4-22(5-2)14(23)10-11-24-17-18-16-15(19-20-17)12-8-6-7-9-13(12)21(16)3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyKUINFIPFABDXRY-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.87
Rot. Bonds6

About N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide

N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide (PubChem CID 6414823) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide
PubChem CID6414823
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide
SMILESCCN(CC)C(=O)CCSc1nnc2c3ccccc3n(C)c2n1
InChIInChI=1S/C17H21N5OS/c1-4-22(5-2)14(23)10-11-24-17-18-16-15(19-20-17)12-8-6-7-9-13(12)21(16)3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyKUINFIPFABDXRY-UHFFFAOYSA-N
XLogP2.87
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]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

2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
CID 3129853
1-(4-tert-butylphenyl)-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butan-1-one
CID 5295206
N,N-diethyl-2-[(8-methoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 3216529
N-cyclohexyl-N-methyl-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 3153155
ethyl 2-(N-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]anilino)acetate
CID 6413138
5-methyl-3-(2-phenoxyethylsulfanyl)-[1,2,4]triazino[5,6-b]indole
CID 5296943
N-[(4-methylphenyl)methyl]-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813192
4-[[5-[(2-methylphenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N,N-dipropylbutanamide
CID 42737820
(2S)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanoate
CID 8554903
N,N-diethyl-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine
CID 3159332
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 6415284
N-(2,6-dimethoxyphenyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 43813183

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide?
The IUPAC name of N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide (CID 6414823) is N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide is CCN(CC)C(=O)CCSc1nnc2c3ccccc3n(C)c2n1.
What is the InChIKey of N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide?
The InChIKey is KUINFIPFABDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-4-22(5-2)14(23)10-11-24-17-18-16-15(19-20-17)12-8-6-7-9-13(12)21(16)3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide?
N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide has a molecular weight of 343.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 6414823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).