1,3-diaminourea;1-nitroguanidine

C2H10N8O3 — CID 135793883

IUPAC1,3-diaminourea;1-nitroguanidine
SMILESNNC(=O)NN.[H]/N=C(\N)N[N+](=O)[O-]
InChIInChI=1S/CH4N4O2.CH6N4O/c2-1(3)4-5(6)7;2-4-1(6)5-3/h(H4,2,3,4);2-3H2,(H2,4,5,6)
InChIKeyNHORDRSXELZXRN-UHFFFAOYSA-N
MW194.16 g/mol
LogP-3.31
Rot. Bonds1

About 1,3-diaminourea;1-nitroguanidine

1,3-diaminourea;1-nitroguanidine (PubChem CID 135793883) has the molecular formula C2H10N8O3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 1,3-diaminourea;1-nitroguanidine.

Molecular Properties

Compound Name1,3-diaminourea;1-nitroguanidine
PubChem CID135793883
Molecular FormulaC2H10N8O3
Molecular Weight194.16 g/mol
Exact Mass194.09
IUPAC Name1,3-diaminourea;1-nitroguanidine
SMILESNNC(=O)NN.[H]/N=C(\N)N[N+](=O)[O-]
InChIInChI=1S/CH4N4O2.CH6N4O/c2-1(3)4-5(6)7;2-4-1(6)5-3/h(H4,2,3,4);2-3H2,(H2,4,5,6)
InChIKeyNHORDRSXELZXRN-UHFFFAOYSA-N
XLogP-3.31
TPSA198.21 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.16
LogP ≤ 5-3.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diaminourea;1-nitroguanidine?
The IUPAC name of 1,3-diaminourea;1-nitroguanidine (CID 135793883) is 1,3-diaminourea;1-nitroguanidine.
What is the SMILES notation for 1,3-diaminourea;1-nitroguanidine?
The canonical SMILES for 1,3-diaminourea;1-nitroguanidine is NNC(=O)NN.[H]/N=C(\N)N[N+](=O)[O-].
What is the InChIKey of 1,3-diaminourea;1-nitroguanidine?
The InChIKey is NHORDRSXELZXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N4O2.CH6N4O/c2-1(3)4-5(6)7;2-4-1(6)5-3/h(H4,2,3,4);2-3H2,(H2,4,5,6).
What are the key properties of 1,3-diaminourea;1-nitroguanidine?
1,3-diaminourea;1-nitroguanidine has a molecular weight of 194.16 g/mol, XLogP of -3.31, 1 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminourea;1-nitroguanidine is sourced from PubChem (CID 135793883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).