diamino carbonate;guanidine

C2H9N5O3 — CID 87141757

IUPACdiamino carbonate;guanidine
SMILESNOC(=O)ON.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH4N2O3/c2-1(3)4;2-5-1(4)6-3/h(H5,2,3,4);2-3H2
InChIKeyMSLRNWDTTTXFGS-UHFFFAOYSA-N
MW151.13 g/mol
LogP-2.27
Rot. Bonds

About diamino carbonate;guanidine

diamino carbonate;guanidine (PubChem CID 87141757) has the molecular formula C2H9N5O3 and a molecular weight of 151.13 g/mol. Its IUPAC name is diamino carbonate;guanidine.

Molecular Properties

Compound Namediamino carbonate;guanidine
PubChem CID87141757
Molecular FormulaC2H9N5O3
Molecular Weight151.13 g/mol
Exact Mass151.07
IUPAC Namediamino carbonate;guanidine
SMILESNOC(=O)ON.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH4N2O3/c2-1(3)4;2-5-1(4)6-3/h(H5,2,3,4);2-3H2
InChIKeyMSLRNWDTTTXFGS-UHFFFAOYSA-N
XLogP-2.27
TPSA163.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diamino carbonate;guanidine?
The IUPAC name of diamino carbonate;guanidine (CID 87141757) is diamino carbonate;guanidine.
What is the SMILES notation for diamino carbonate;guanidine?
The canonical SMILES for diamino carbonate;guanidine is NOC(=O)ON.[H]N=C(N)N.
What is the InChIKey of diamino carbonate;guanidine?
The InChIKey is MSLRNWDTTTXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CH4N2O3/c2-1(3)4;2-5-1(4)6-3/h(H5,2,3,4);2-3H2.
What are the key properties of diamino carbonate;guanidine?
diamino carbonate;guanidine has a molecular weight of 151.13 g/mol, XLogP of -2.27, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diamino carbonate;guanidine is sourced from PubChem (CID 87141757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).