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

C6H17N11O2 — CID 159359112

IUPACformaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.[H]N=C(N)N
InChIInChI=1S/C3H6N6.CH5N3.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H5,2,3,4);(H4,2,3,4);1H2
InChIKeyLIHPQSHVYRBVHD-UHFFFAOYSA-N
MW275.28 g/mol
LogP-3.70
Rot. Bonds

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

formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 159359112) has the molecular formula C6H17N11O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameformaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID159359112
Molecular FormulaC6H17N11O2
Molecular Weight275.28 g/mol
Exact Mass275.16
IUPAC Nameformaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea
SMILESC=O.NC(N)=O.Nc1nc(N)nc(N)n1.[H]N=C(N)N
InChIInChI=1S/C3H6N6.CH5N3.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H5,2,3,4);(H4,2,3,4);1H2
InChIKeyLIHPQSHVYRBVHD-UHFFFAOYSA-N
XLogP-3.70
TPSA278.80 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.28
LogP ≤ 5-3.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea (CID 159359112) is formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea is C=O.NC(N)=O.Nc1nc(N)nc(N)n1.[H]N=C(N)N.
What is the InChIKey of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is LIHPQSHVYRBVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH5N3.CH4N2O.CH2O/c4-1-7-2(5)9-3(6)8-1;2*2-1(3)4;1-2/h(H6,4,5,6,7,8,9);(H5,2,3,4);(H4,2,3,4);1H2.
What are the key properties of formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea?
formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 275.28 g/mol, XLogP of -3.70, 0 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;guanidine;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 159359112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).