5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol

C9H9N5O2 — CID 107703098

IUPAC5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol
SMILESNc1nc(N)nc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)4-1-5(15)3-6(16)2-4/h1-3,15-16H,(H4,10,11,12,13,14)
InChIKeyIKNZTCJVZFYNBQ-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.11
Rot. Bonds1

About 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol

5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol (PubChem CID 107703098) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol
PubChem CID107703098
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol
SMILESNc1nc(N)nc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)4-1-5(15)3-6(16)2-4/h1-3,15-16H,(H4,10,11,12,13,14)
InChIKeyIKNZTCJVZFYNBQ-UHFFFAOYSA-N
XLogP0.11
TPSA131.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol (CID 107703098) is 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol is Nc1nc(N)nc(-c2cc(O)cc(O)c2)n1.
What is the InChIKey of 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol?
The InChIKey is IKNZTCJVZFYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)4-1-5(15)3-6(16)2-4/h1-3,15-16H,(H4,10,11,12,13,14).
What are the key properties of 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol?
5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol has a molecular weight of 219.20 g/mol, XLogP of 0.11, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 107703098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).