azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea

C4H17N9O8P2 — CID 173347097

IUPACazane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea
SMILESN.NC(N)=O.Nc1nc(N)nc(N)n1.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C3H6N6.CH4N2O.H3N.H4O7P2/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;;1-8(2,3)7-9(4,5)6/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H3;(H2,1,2,3)(H2,4,5,6)
InChIKeyNNDXIFRJHKPXQY-UHFFFAOYSA-N
MW381.18 g/mol
LogP-3.01
Rot. Bonds2

About azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea

azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea (PubChem CID 173347097) has the molecular formula C4H17N9O8P2 and a molecular weight of 381.18 g/mol. Its IUPAC name is azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea.

Molecular Properties

Compound Nameazane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea
PubChem CID173347097
Molecular FormulaC4H17N9O8P2
Molecular Weight381.18 g/mol
Exact Mass381.07
IUPAC Nameazane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea
SMILESN.NC(N)=O.Nc1nc(N)nc(N)n1.O=P(O)(O)OP(=O)(O)O
InChIInChI=1S/C3H6N6.CH4N2O.H3N.H4O7P2/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;;1-8(2,3)7-9(4,5)6/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H3;(H2,1,2,3)(H2,4,5,6)
InChIKeyNNDXIFRJHKPXQY-UHFFFAOYSA-N
XLogP-3.01
TPSA345.13 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500381.18
LogP ≤ 5-3.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea?
The IUPAC name of azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea (CID 173347097) is azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea.
What is the SMILES notation for azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea?
The canonical SMILES for azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea is N.NC(N)=O.Nc1nc(N)nc(N)n1.O=P(O)(O)OP(=O)(O)O.
What is the InChIKey of azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea?
The InChIKey is NNDXIFRJHKPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.CH4N2O.H3N.H4O7P2/c4-1-7-2(5)9-3(6)8-1;2-1(3)4;;1-8(2,3)7-9(4,5)6/h(H6,4,5,6,7,8,9);(H4,2,3,4);1H3;(H2,1,2,3)(H2,4,5,6).
What are the key properties of azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea?
azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea has a molecular weight of 381.18 g/mol, XLogP of -3.01, 2 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphono dihydrogen phosphate;1,3,5-triazine-2,4,6-triamine;urea is sourced from PubChem (CID 173347097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).