2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid

C11H12N4O6 — CID 176895750

IUPAC2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid
SMILESO=C(O)N1CN(C(=O)O)C(c2ccccn2)N(C(=O)O)C1
InChIInChI=1S/C11H12N4O6/c16-9(17)13-5-14(10(18)19)8(15(6-13)11(20)21)7-3-1-2-4-12-7/h1-4,8H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyAHWKYYALBIVPES-UHFFFAOYSA-N
MW296.24 g/mol
LogP0.95
Rot. Bonds1

About 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid

2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid (PubChem CID 176895750) has the molecular formula C11H12N4O6 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid.

Molecular Properties

Compound Name2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid
PubChem CID176895750
Molecular FormulaC11H12N4O6
Molecular Weight296.24 g/mol
Exact Mass296.08
IUPAC Name2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid
SMILESO=C(O)N1CN(C(=O)O)C(c2ccccn2)N(C(=O)O)C1
InChIInChI=1S/C11H12N4O6/c16-9(17)13-5-14(10(18)19)8(15(6-13)11(20)21)7-3-1-2-4-12-7/h1-4,8H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyAHWKYYALBIVPES-UHFFFAOYSA-N
XLogP0.95
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 151065309
1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 82395989
2-(1,3-dibenzylimidazolidin-2-yl)pyridine
CID 11370900
2-pyridin-2-yl-2H-pyridine-5,5-dicarboxylic acid
CID 67494015
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 5298472
methyl 2-pyridin-2-ylcyclopropane-1-carboxylate
CID 91647742
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
2-(4-pyridin-2-ylcyclohexylidene)acetic acid
CID 82285129

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid?
The IUPAC name of 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid (CID 176895750) is 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid.
What is the SMILES notation for 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid?
The canonical SMILES for 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid is O=C(O)N1CN(C(=O)O)C(c2ccccn2)N(C(=O)O)C1.
What is the InChIKey of 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid?
The InChIKey is AHWKYYALBIVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6/c16-9(17)13-5-14(10(18)19)8(15(6-13)11(20)21)7-3-1-2-4-12-7/h1-4,8H,5-6H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid?
2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid has a molecular weight of 296.24 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,3,5-triazinane-1,3,5-tricarboxylic acid is sourced from PubChem (CID 176895750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).