2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid

C11H10N4O2 — CID 68852154

IUPAC2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
SMILESNc1nc(CC(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C11H10N4O2/c12-11-14-8(6-9(16)17)13-10(15-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)(H2,12,13,14,15)
InChIKeyPSAZNSUNKDZMNX-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.75
Rot. Bonds3

About 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid

2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid (PubChem CID 68852154) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
PubChem CID68852154
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid
SMILESNc1nc(CC(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C11H10N4O2/c12-11-14-8(6-9(16)17)13-10(15-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)(H2,12,13,14,15)
InChIKeyPSAZNSUNKDZMNX-UHFFFAOYSA-N
XLogP0.75
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid (CID 68852154) is 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid is Nc1nc(CC(=O)O)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid?
The InChIKey is PSAZNSUNKDZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-11-14-8(6-9(16)17)13-10(15-11)7-4-2-1-3-5-7/h1-5H,6H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid?
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid has a molecular weight of 230.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)acetic acid is sourced from PubChem (CID 68852154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).