5-phenoxytriazine-4,6-diamine

C9H9N5O — CID 154264389

IUPAC5-phenoxytriazine-4,6-diamine
SMILESNc1nnnc(N)c1Oc1ccccc1
InChIInChI=1S/C9H9N5O/c10-8-7(9(11)13-14-12-8)15-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13)
InChIKeyLDPNNQIPGNCXBT-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.83
Rot. Bonds2

About 5-phenoxytriazine-4,6-diamine

5-phenoxytriazine-4,6-diamine (PubChem CID 154264389) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 5-phenoxytriazine-4,6-diamine.

Molecular Properties

Compound Name5-phenoxytriazine-4,6-diamine
PubChem CID154264389
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name5-phenoxytriazine-4,6-diamine
SMILESNc1nnnc(N)c1Oc1ccccc1
InChIInChI=1S/C9H9N5O/c10-8-7(9(11)13-14-12-8)15-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13)
InChIKeyLDPNNQIPGNCXBT-UHFFFAOYSA-N
XLogP0.83
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxytriazine-4,6-diamine?
The IUPAC name of 5-phenoxytriazine-4,6-diamine (CID 154264389) is 5-phenoxytriazine-4,6-diamine.
What is the SMILES notation for 5-phenoxytriazine-4,6-diamine?
The canonical SMILES for 5-phenoxytriazine-4,6-diamine is Nc1nnnc(N)c1Oc1ccccc1.
What is the InChIKey of 5-phenoxytriazine-4,6-diamine?
The InChIKey is LDPNNQIPGNCXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-7(9(11)13-14-12-8)15-6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13).
What are the key properties of 5-phenoxytriazine-4,6-diamine?
5-phenoxytriazine-4,6-diamine has a molecular weight of 203.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxytriazine-4,6-diamine is sourced from PubChem (CID 154264389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).