diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine

C15H17N6O4P — CID 67592807

IUPACdiphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C3H6N6/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;4-1-7-2(5)9-3(6)8-1/h1-10H,(H,13,14);(H6,4,5,6,7,8,9)
InChIKeyHDRWELNCTVEWOJ-UHFFFAOYSA-N
MW376.31 g/mol
LogP1.86
Rot. Bonds4

About diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine

diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine (PubChem CID 67592807) has the molecular formula C15H17N6O4P and a molecular weight of 376.31 g/mol. Its IUPAC name is diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namediphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
PubChem CID67592807
Molecular FormulaC15H17N6O4P
Molecular Weight376.31 g/mol
Exact Mass376.10
IUPAC Namediphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C3H6N6/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;4-1-7-2(5)9-3(6)8-1/h1-10H,(H,13,14);(H6,4,5,6,7,8,9)
InChIKeyHDRWELNCTVEWOJ-UHFFFAOYSA-N
XLogP1.86
TPSA172.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
chloroform;diphenyl hydrogen phosphate
CID 174899919
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960
hydroxy phenyl hydrogen phosphate
CID 19103302
diphenyl hydrogen phosphate;N-phenylaniline
CID 172852100
phenylphosphonic acid;bis(1,3,5-triazine-2,4,6-triamine)
CID 172995244
2-amino-3-hydroxybutanoic acid;diphenyl hydrogen phosphate
CID 67577660
phenoxy phenyl hydrogen phosphate
CID 172853202
methane;phenyl phosphono hydrogen phosphate
CID 88820079
dimethyl hydrogen phosphite;diphenyl hydrogen phosphate
CID 161171837

Frequently Asked Questions

What is the IUPAC name of diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine (CID 67592807) is diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is HDRWELNCTVEWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.C3H6N6/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;4-1-7-2(5)9-3(6)8-1/h1-10H,(H,13,14);(H6,4,5,6,7,8,9).
What are the key properties of diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine?
diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 376.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67592807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).