2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine

C10H12N6O3 — CID 158932833

IUPAC2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C3H6N6/c8-6-4-2-1-3-5(6)7(9)10;4-1-7-2(5)9-3(6)8-1/h1-4,8H,(H,9,10);(H6,4,5,6,7,8,9)
InChIKeyJJGYXGYYMSOVCS-UHFFFAOYSA-N
MW264.25 g/mol
LogP-0.29
Rot. Bonds1

About 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine

2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 158932833) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID158932833
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C3H6N6/c8-6-4-2-1-3-5(6)7(9)10;4-1-7-2(5)9-3(6)8-1/h1-4,8H,(H,9,10);(H6,4,5,6,7,8,9)
InChIKeyJJGYXGYYMSOVCS-UHFFFAOYSA-N
XLogP-0.29
TPSA174.26 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

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2-hydroxybenzoic acid;molecular hydrogen
CID 143717517
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CID 172999910

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine (CID 158932833) is 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JJGYXGYYMSOVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C3H6N6/c8-6-4-2-1-3-5(6)7(9)10;4-1-7-2(5)9-3(6)8-1/h1-4,8H,(H,9,10);(H6,4,5,6,7,8,9).
What are the key properties of 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine?
2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 264.25 g/mol, XLogP of -0.29, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 158932833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).