formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea

C11H15N7O2 — CID 86758556

IUPACformaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH4N2O.CH2O/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1(3)4;1-2/h1-5H,(H4,10,11,12,13,14);(H4,2,3,4);1H2
InChIKeyWOIRFDMYQLJKAL-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.46
Rot. Bonds1

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

formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea (PubChem CID 86758556) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea.

Molecular Properties

Compound Nameformaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea
PubChem CID86758556
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Nameformaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C9H9N5.CH4N2O.CH2O/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1(3)4;1-2/h1-5H,(H4,10,11,12,13,14);(H4,2,3,4);1H2
InChIKeyWOIRFDMYQLJKAL-UHFFFAOYSA-N
XLogP-0.46
TPSA176.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea?
The IUPAC name of formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea (CID 86758556) is formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea.
What is the SMILES notation for formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea?
The canonical SMILES for formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea is C=O.NC(N)=O.Nc1nc(N)nc(-c2ccccc2)n1.
What is the InChIKey of formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea?
The InChIKey is WOIRFDMYQLJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5.CH4N2O.CH2O/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;2-1(3)4;1-2/h1-5H,(H4,10,11,12,13,14);(H4,2,3,4);1H2.
What are the key properties of formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea?
formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea has a molecular weight of 277.29 g/mol, XLogP of -0.46, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;6-phenyl-1,3,5-triazine-2,4-diamine;urea is sourced from PubChem (CID 86758556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).