2-(2-diazohydrazinyl)hexanoic acid

C6H12N4O2 — CID 89287539

IUPAC2-(2-diazohydrazinyl)hexanoic acid
SMILESCCCCC(NN=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H12N4O2/c1-2-3-4-5(6(11)12)8-10-9-7/h5,8H,2-4H2,1H3,(H,11,12)
InChIKeyNMURNIILQICBEF-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.44
Rot. Bonds6

About 2-(2-diazohydrazinyl)hexanoic acid

2-(2-diazohydrazinyl)hexanoic acid (PubChem CID 89287539) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(2-diazohydrazinyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-diazohydrazinyl)hexanoic acid
PubChem CID89287539
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-(2-diazohydrazinyl)hexanoic acid
SMILESCCCCC(NN=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H12N4O2/c1-2-3-4-5(6(11)12)8-10-9-7/h5,8H,2-4H2,1H3,(H,11,12)
InChIKeyNMURNIILQICBEF-UHFFFAOYSA-N
XLogP1.44
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
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-(2-diazohydrazinyl)hexanoic acid 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

6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
(2S)-2-(2-diazohydrazinyl)-4-methylsulfanylbutanoic acid
CID 87221819
2-(2-diazohydrazinyl)-3-sulfanylpropanoic acid
CID 134588885
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(2-azidoethylamino)octanoic acid
CID 66190006
(2R)-2-(2-diazohydrazinyl)propanoic acid
CID 23623073
2-(methoxyamino)hexanoic acid
CID 103254320
(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S,3R)-3-azido-2-butylheptanoic acid
CID 164670285
(2S)-2-azidoheptanoic acid
CID 122577491

Frequently Asked Questions

What is the IUPAC name of 2-(2-diazohydrazinyl)hexanoic acid?
The IUPAC name of 2-(2-diazohydrazinyl)hexanoic acid (CID 89287539) is 2-(2-diazohydrazinyl)hexanoic acid.
What is the SMILES notation for 2-(2-diazohydrazinyl)hexanoic acid?
The canonical SMILES for 2-(2-diazohydrazinyl)hexanoic acid is CCCCC(NN=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-(2-diazohydrazinyl)hexanoic acid?
The InChIKey is NMURNIILQICBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-2-3-4-5(6(11)12)8-10-9-7/h5,8H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(2-diazohydrazinyl)hexanoic acid?
2-(2-diazohydrazinyl)hexanoic acid has a molecular weight of 172.19 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diazohydrazinyl)hexanoic acid is sourced from PubChem (CID 89287539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).