1-hydrazinyl-3-nitrosourea

CH5N5O2 — CID 90211659

IUPAC1-hydrazinyl-3-nitrosourea
SMILESNNNC(=O)NN=O
InChIInChI=1S/CH5N5O2/c2-5-3-1(7)4-6-8/h5H,2H2,(H2,3,4,7,8)
InChIKeyGYYQLBHNHZQIJL-UHFFFAOYSA-N
MW119.08 g/mol
LogP-1.65
Rot. Bonds2

About 1-hydrazinyl-3-nitrosourea

1-hydrazinyl-3-nitrosourea (PubChem CID 90211659) has the molecular formula CH5N5O2 and a molecular weight of 119.08 g/mol. Its IUPAC name is 1-hydrazinyl-3-nitrosourea.

Molecular Properties

Compound Name1-hydrazinyl-3-nitrosourea
PubChem CID90211659
Molecular FormulaCH5N5O2
Molecular Weight119.08 g/mol
Exact Mass119.04
IUPAC Name1-hydrazinyl-3-nitrosourea
SMILESNNNC(=O)NN=O
InChIInChI=1S/CH5N5O2/c2-5-3-1(7)4-6-8/h5H,2H2,(H2,3,4,7,8)
InChIKeyGYYQLBHNHZQIJL-UHFFFAOYSA-N
XLogP-1.65
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 1-hydrazinyl-3-nitrosourea?
The IUPAC name of 1-hydrazinyl-3-nitrosourea (CID 90211659) is 1-hydrazinyl-3-nitrosourea.
What is the SMILES notation for 1-hydrazinyl-3-nitrosourea?
The canonical SMILES for 1-hydrazinyl-3-nitrosourea is NNNC(=O)NN=O.
What is the InChIKey of 1-hydrazinyl-3-nitrosourea?
The InChIKey is GYYQLBHNHZQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N5O2/c2-5-3-1(7)4-6-8/h5H,2H2,(H2,3,4,7,8).
What are the key properties of 1-hydrazinyl-3-nitrosourea?
1-hydrazinyl-3-nitrosourea has a molecular weight of 119.08 g/mol, XLogP of -1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-3-nitrosourea is sourced from PubChem (CID 90211659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).