2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid

C15H24N6O2 — CID 4767455

IUPAC2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H24N6O2/c22-12(23)11-16-13-17-14(20-7-3-1-4-8-20)19-15(18-13)21-9-5-2-6-10-21/h1-11H2,(H,22,23)(H,16,17,18,19)
InChIKeyRIIKEEHJZKETGK-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.35
Rot. Bonds5

About 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid

2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 4767455) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID4767455
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESO=C(O)CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H24N6O2/c22-12(23)11-16-13-17-14(20-7-3-1-4-8-20)19-15(18-13)21-9-5-2-6-10-21/h1-11H2,(H,22,23)(H,16,17,18,19)
InChIKeyRIIKEEHJZKETGK-UHFFFAOYSA-N
XLogP1.35
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid with MolForge

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Related Compounds

2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80783513
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80784562
3-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122048209
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
N-ethyl-2-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80906845
4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 672103
N-cyclopropyl-2-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80775829
3-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-3-(4-methylphenyl)propanoic acid
CID 3242819
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid (CID 4767455) is 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid is O=C(O)CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is RIIKEEHJZKETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c22-12(23)11-16-13-17-14(20-7-3-1-4-8-20)19-15(18-13)21-9-5-2-6-10-21/h1-11H2,(H,22,23)(H,16,17,18,19).
What are the key properties of 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 320.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 4767455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).