azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea

C8H34N14O7 — CID 159977811

IUPACazane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESC.N.N.N.N.N.N.NC(N)=O.Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=C=O
InChIInChI=1S/C3H6N6.C2H2O4.CH4N2O.CO2.CH4.6H3N/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;2-1(3)4;2-1-3;;;;;;;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);(H4,2,3,4);;1H4;6*1H3
InChIKeyFRXCBMGHWZNNAY-UHFFFAOYSA-N
MW438.45 g/mol
LogP-2.18
Rot. Bonds

About azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea

azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 159977811) has the molecular formula C8H34N14O7 and a molecular weight of 438.45 g/mol. Its IUPAC name is azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameazane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID159977811
Molecular FormulaC8H34N14O7
Molecular Weight438.45 g/mol
Exact Mass438.27
IUPAC Nameazane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea
SMILESC.N.N.N.N.N.N.NC(N)=O.Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=C=O
InChIInChI=1S/C3H6N6.C2H2O4.CH4N2O.CO2.CH4.6H3N/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;2-1(3)4;2-1-3;;;;;;;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);(H4,2,3,4);;1H4;6*1H3
InChIKeyFRXCBMGHWZNNAY-UHFFFAOYSA-N
XLogP-2.18
TPSA504.58 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500438.45
LogP ≤ 5-2.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea (CID 159977811) is azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea is C.N.N.N.N.N.N.NC(N)=O.Nc1nc(N)nc(N)n1.O=C(O)C(=O)O.O=C=O.
What is the InChIKey of azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is FRXCBMGHWZNNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H2O4.CH4N2O.CO2.CH4.6H3N/c4-1-7-2(5)9-3(6)8-1;3-1(4)2(5)6;2-1(3)4;2-1-3;;;;;;;/h(H6,4,5,6,7,8,9);(H,3,4)(H,5,6);(H4,2,3,4);;1H4;6*1H3.
What are the key properties of azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea?
azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 438.45 g/mol, XLogP of -2.18, 0 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbon dioxide;methane;oxalic acid;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 159977811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).