phenylphosphane;1,3,5-triazine-2,4,6-triamine

C9H13N6P — CID 159739917

IUPACphenylphosphane;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Pc1ccccc1
InChIInChI=1S/C6H7P.C3H6N6/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1/h1-5H,7H2;(H6,4,5,6,7,8,9)
InChIKeyNCHZSYFYQPCAMA-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.19
Rot. Bonds

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

phenylphosphane;1,3,5-triazine-2,4,6-triamine (PubChem CID 159739917) has the molecular formula C9H13N6P and a molecular weight of 236.22 g/mol. Its IUPAC name is phenylphosphane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namephenylphosphane;1,3,5-triazine-2,4,6-triamine
PubChem CID159739917
Molecular FormulaC9H13N6P
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Namephenylphosphane;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.Pc1ccccc1
InChIInChI=1S/C6H7P.C3H6N6/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1/h1-5H,7H2;(H6,4,5,6,7,8,9)
InChIKeyNCHZSYFYQPCAMA-UHFFFAOYSA-N
XLogP-0.19
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylphosphane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of phenylphosphane;1,3,5-triazine-2,4,6-triamine (CID 159739917) is phenylphosphane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for phenylphosphane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for phenylphosphane;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.Pc1ccccc1.
What is the InChIKey of phenylphosphane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is NCHZSYFYQPCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.C3H6N6/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1/h1-5H,7H2;(H6,4,5,6,7,8,9).
What are the key properties of phenylphosphane;1,3,5-triazine-2,4,6-triamine?
phenylphosphane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 236.22 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159739917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).