(2-diazohydrazinyl)urea

CH4N6O — CID 87973262

IUPAC(2-diazohydrazinyl)urea
SMILES[N-]=[N+]=NNNC(N)=O
InChIInChI=1S/CH4N6O/c2-1(8)4-6-7-5-3/h6H,(H3,2,4,8)
InChIKeyDYJNUXZSHUMHEB-UHFFFAOYSA-N
MW116.08 g/mol
LogP-0.62
Rot. Bonds2

About (2-diazohydrazinyl)urea

(2-diazohydrazinyl)urea (PubChem CID 87973262) has the molecular formula CH4N6O and a molecular weight of 116.08 g/mol. Its IUPAC name is (2-diazohydrazinyl)urea.

Molecular Properties

Compound Name(2-diazohydrazinyl)urea
PubChem CID87973262
Molecular FormulaCH4N6O
Molecular Weight116.08 g/mol
Exact Mass116.04
IUPAC Name(2-diazohydrazinyl)urea
SMILES[N-]=[N+]=NNNC(N)=O
InChIInChI=1S/CH4N6O/c2-1(8)4-6-7-5-3/h6H,(H3,2,4,8)
InChIKeyDYJNUXZSHUMHEB-UHFFFAOYSA-N
XLogP-0.62
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.08
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2-diazohydrazinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[amino-(2-carbamoylhydrazinyl)methylidene]amino]phosphonic acid
CID 174340623
(2-azido-1-phenylethyl)urea
CID 121416559
CID 172749894
CID 172749894
N-azido-2,2,2-trifluoroacetamide
CID 54361791
(2R)-2-(2-diazohydrazinyl)propanoic acid
CID 23623073
azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate
CID 174520180
propylaminourea
CID 55291175
tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
CID 21122078
3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
1-(carbamoylamino)-3-oxidourea
CID 141040084
3-azido-2-(4-methylanilino)propanamide
CID 66429219
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350

Frequently Asked Questions

What is the IUPAC name of (2-diazohydrazinyl)urea?
The IUPAC name of (2-diazohydrazinyl)urea (CID 87973262) is (2-diazohydrazinyl)urea.
What is the SMILES notation for (2-diazohydrazinyl)urea?
The canonical SMILES for (2-diazohydrazinyl)urea is [N-]=[N+]=NNNC(N)=O.
What is the InChIKey of (2-diazohydrazinyl)urea?
The InChIKey is DYJNUXZSHUMHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N6O/c2-1(8)4-6-7-5-3/h6H,(H3,2,4,8).
What are the key properties of (2-diazohydrazinyl)urea?
(2-diazohydrazinyl)urea has a molecular weight of 116.08 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diazohydrazinyl)urea is sourced from PubChem (CID 87973262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).