2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol

C16H22ClN5O2 — CID 123949886

IUPAC2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol
SMILESCc1cccc(-c2nnc(NC(C)(C)COCCO)nc2N)c1Cl
InChIInChI=1S/C16H22ClN5O2/c1-10-5-4-6-11(12(10)17)13-14(18)19-15(22-21-13)20-16(2,3)9-24-8-7-23/h4-6,23H,7-9H2,1-3H3,(H3,18,19,20,22)
InChIKeyMNVBWEWGYROVGV-UHFFFAOYSA-N
MW351.84 g/mol
LogP2.28
Rot. Bonds7

About 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol

2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol (PubChem CID 123949886) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol
PubChem CID123949886
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol
SMILESCc1cccc(-c2nnc(NC(C)(C)COCCO)nc2N)c1Cl
InChIInChI=1S/C16H22ClN5O2/c1-10-5-4-6-11(12(10)17)13-14(18)19-15(22-21-13)20-16(2,3)9-24-8-7-23/h4-6,23H,7-9H2,1-3H3,(H3,18,19,20,22)
InChIKeyMNVBWEWGYROVGV-UHFFFAOYSA-N
XLogP2.28
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol with MolForge

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Related Compounds

2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropanoic acid
CID 118166248
2-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]ethoxy]ethyl methyl carbonate
CID 118166347
2-[2-[[5-amino-6-(3-chloro-2-methylphenyl)-1,2,4-triazin-3-yl]amino]ethoxy]ethyl methanesulfonate
CID 144867790
N-[3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-2-hydroxypropyl]-2-(2-methoxyethoxy)acetamide
CID 126643299
4-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-1-methoxybutan-2-ol;3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]oxypropane-1,2-diol;3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropan-1-ol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-2,2-dimethylpropoxy]ethanol;2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]methyl]propane-1,3-diol;2-[3-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]propoxy]propane-1,3-diol;6-(2,3-dichlorophenyl)-3-[3-(1,3-dimethoxypropan-2-yloxy)propyl]-1,2,4-triazin-5-amine
CID 159419684
6-(2,3-dichloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 142074168
4-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-1-[2-(2-methoxyethoxy)ethoxy]butan-2-ol
CID 147018459
2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate
CID 175443022
3-N-[1,3-bis(2-methoxyethoxy)-2-methylpropan-2-yl]-6-chloro-1,2,4-triazine-3,5-diamine
CID 118166070
3-(2,3-dichlorophenyl)-6-N-(2-ethoxyethyl)pyrazine-2,6-diamine
CID 144867888
2-[3-[5-amino-3-(1-chloropropan-2-ylamino)-1,2,4-triazin-6-yl]-4,5-dichlorophenyl]sulfanylethanol
CID 126669292
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
CID 87536176

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol?
The IUPAC name of 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol (CID 123949886) is 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol?
The canonical SMILES for 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol is Cc1cccc(-c2nnc(NC(C)(C)COCCO)nc2N)c1Cl.
What is the InChIKey of 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol?
The InChIKey is MNVBWEWGYROVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-10-5-4-6-11(12(10)17)13-14(18)19-15(22-21-13)20-16(2,3)9-24-8-7-23/h4-6,23H,7-9H2,1-3H3,(H3,18,19,20,22).
What are the key properties of 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol?
2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol has a molecular weight of 351.84 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-amino-6-(2-chloro-3-methylphenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropoxy]ethanol is sourced from PubChem (CID 123949886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).