6-phenyl-1,3,5-triazine-2,4-diamine

C9H8N5- — CID 139256418

IUPAC6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2[c-]cccc2)n1
InChIInChI=1S/C9H8N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-4H,(H4,10,11,12,13,14)/q-1
InChIKeyLAMPBBUSIKSCPA-UHFFFAOYSA-N
MW186.20 g/mol
LogP0.50
Rot. Bonds1

About 6-phenyl-1,3,5-triazine-2,4-diamine

6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 139256418) has the molecular formula C9H8N5- and a molecular weight of 186.20 g/mol. Its IUPAC name is 6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID139256418
Molecular FormulaC9H8N5-
Molecular Weight186.20 g/mol
Exact Mass186.08
IUPAC Name6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2[c-]cccc2)n1
InChIInChI=1S/C9H8N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-4H,(H4,10,11,12,13,14)/q-1
InChIKeyLAMPBBUSIKSCPA-UHFFFAOYSA-N
XLogP0.50
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-phenyl-1,3,5-triazine-2,4-diamine (CID 139256418) is 6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2[c-]cccc2)n1.
What is the InChIKey of 6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LAMPBBUSIKSCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-4H,(H4,10,11,12,13,14)/q-1.
What are the key properties of 6-phenyl-1,3,5-triazine-2,4-diamine?
6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 186.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139256418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).