3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid

C12H21N5O3 — CID 163594715

IUPAC3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid
SMILESCCCN(CCO)c1nc(C)nc(NCCC(=O)O)n1
InChIInChI=1S/C12H21N5O3/c1-3-6-17(7-8-18)12-15-9(2)14-11(16-12)13-5-4-10(19)20/h18H,3-8H2,1-2H3,(H,19,20)(H,13,14,15,16)
InChIKeyGSLAIQIDRLEZQE-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.28
Rot. Bonds9

About 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid

3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid (PubChem CID 163594715) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid
PubChem CID163594715
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid
SMILESCCCN(CCO)c1nc(C)nc(NCCC(=O)O)n1
InChIInChI=1S/C12H21N5O3/c1-3-6-17(7-8-18)12-15-9(2)14-11(16-12)13-5-4-10(19)20/h18H,3-8H2,1-2H3,(H,19,20)(H,13,14,15,16)
InChIKeyGSLAIQIDRLEZQE-UHFFFAOYSA-N
XLogP0.28
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid with MolForge

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Related Compounds

Niosh/OV5470000
CID 146037559
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]acetic acid
CID 54291568
2-[4,6-Bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]-2-cyanopropanoic acid
CID 57240980
3-[[4-(2-Aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid
CID 126546699
3-[[4-(2-Hydroxyethylamino)-6-[(2-hydroxyethylamino)methyl]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 130250712
3-[[4-(2-Aminoethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid;ethane
CID 145028956
2-[(4,6-Dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate
CID 163589646
Dipotassium;3-[[4-[bis(2-hydroxyethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 167346546
Disodium;3-[[4-[bis(2-hydroxyethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 167346551
Methyl 3-[[4-[(3-methoxy-3-oxopropyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoate
CID 178970776
3-[[4-(3-Hydroxypropylamino)-6-methyl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 22224
2-((4-Ethyl-6-methoxy-1,3,5-triazin-2-yl)amino)ethanolsuccinate
CID 57351107

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid?
The IUPAC name of 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid (CID 163594715) is 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid is CCCN(CCO)c1nc(C)nc(NCCC(=O)O)n1.
What is the InChIKey of 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid?
The InChIKey is GSLAIQIDRLEZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-3-6-17(7-8-18)12-15-9(2)14-11(16-12)13-5-4-10(19)20/h18H,3-8H2,1-2H3,(H,19,20)(H,13,14,15,16).
What are the key properties of 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid?
3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid is sourced from PubChem (CID 163594715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).