formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea

C11H18N8O3 — CID 22594698

IUPACformaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H6N6.CH4N2O.CH2O/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2/h1-5,7H;(H6,4,5,6,7,8,9);(H4,2,3,4);1H2
InChIKeyHMJMQKOTEHYCRN-UHFFFAOYSA-N
MW310.32 g/mol
LogP-1.15
Rot. Bonds

About formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea

formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 22594698) has the molecular formula C11H18N8O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameformaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID22594698
Molecular FormulaC11H18N8O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Nameformaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.Oc1ccccc1
InChIInChI=1S/C6H6O.C3H6N6.CH4N2O.CH2O/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2/h1-5,7H;(H6,4,5,6,7,8,9);(H4,2,3,4);1H2
InChIKeyHMJMQKOTEHYCRN-UHFFFAOYSA-N
XLogP-1.15
TPSA223.14 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.32
LogP ≤ 5-1.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea (CID 22594698) is formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea is C=O.NC(N)=O.Nc1nc(N)nc(N)n1.Oc1ccccc1.
What is the InChIKey of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is HMJMQKOTEHYCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H6N6.CH4N2O.CH2O/c7-6-4-2-1-3-5-6;4-1-7-2(5)9-3(6)8-1;2-1(3)4;1-2/h1-5,7H;(H6,4,5,6,7,8,9);(H4,2,3,4);1H2.
What are the key properties of formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea?
formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 310.32 g/mol, XLogP of -1.15, 0 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenol;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 22594698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).