boric acid;1,3,5-triazine-2,4,6-triamine;urea

C4H13BN8O4 — CID 18791860

IUPACboric acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(N)n1.OB(O)O
InChIInChI=1S/C3H6N6.CH4N2O.BH3O3/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4/h(H6,4,5,6,7,8,9);(H4,2,3,4);2-4H
InChIKeyUMNYZQJPNNNDQI-UHFFFAOYSA-N
MW248.01 g/mol
LogP-4.41
Rot. Bonds

About boric acid;1,3,5-triazine-2,4,6-triamine;urea

boric acid;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 18791860) has the molecular formula C4H13BN8O4 and a molecular weight of 248.01 g/mol. Its IUPAC name is boric acid;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameboric acid;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID18791860
Molecular FormulaC4H13BN8O4
Molecular Weight248.01 g/mol
Exact Mass248.12
IUPAC Nameboric acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESNC(N)=O.Nc1nc(N)nc(N)n1.OB(O)O
InChIInChI=1S/C3H6N6.CH4N2O.BH3O3/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4/h(H6,4,5,6,7,8,9);(H4,2,3,4);2-4H
InChIKeyUMNYZQJPNNNDQI-UHFFFAOYSA-N
XLogP-4.41
TPSA246.53 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.01
LogP ≤ 5-4.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of boric acid;1,3,5-triazine-2,4,6-triamine;urea (CID 18791860) is boric acid;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for boric acid;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for boric acid;1,3,5-triazine-2,4,6-triamine;urea is NC(N)=O.Nc1nc(N)nc(N)n1.OB(O)O.
What is the InChIKey of boric acid;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is UMNYZQJPNNNDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH4N2O.BH3O3/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4/h(H6,4,5,6,7,8,9);(H4,2,3,4);2-4H.
What are the key properties of boric acid;1,3,5-triazine-2,4,6-triamine;urea?
boric acid;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 248.01 g/mol, XLogP of -4.41, 0 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 18791860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).