2-[(aminodiazenyl)methyl]-3,4-dihydropyridine

C6H10N4 — CID 89489155

IUPAC2-[(aminodiazenyl)methyl]-3,4-dihydropyridine
SMILESN/N=N/CC1=NC=CCC1
InChIInChI=1S/C6H10N4/c7-10-9-5-6-3-1-2-4-8-6/h2,4H,1,3,5H2,(H2,7,9)
InChIKeyYCZBGWXIYNTQSM-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds2

About 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine

2-[(aminodiazenyl)methyl]-3,4-dihydropyridine (PubChem CID 89489155) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine.

Molecular Properties

Compound Name2-[(aminodiazenyl)methyl]-3,4-dihydropyridine
PubChem CID89489155
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-[(aminodiazenyl)methyl]-3,4-dihydropyridine
SMILESN/N=N/CC1=NC=CCC1
InChIInChI=1S/C6H10N4/c7-10-9-5-6-3-1-2-4-8-6/h2,4H,1,3,5H2,(H2,7,9)
InChIKeyYCZBGWXIYNTQSM-UHFFFAOYSA-N
XLogP1.06
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 122591931
CID 122591931

Frequently Asked Questions

What is the IUPAC name of 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine?
The IUPAC name of 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine (CID 89489155) is 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine.
What is the SMILES notation for 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine?
The canonical SMILES for 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine is N/N=N/CC1=NC=CCC1.
What is the InChIKey of 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine?
The InChIKey is YCZBGWXIYNTQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-10-9-5-6-3-1-2-4-8-6/h2,4H,1,3,5H2,(H2,7,9).
What are the key properties of 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine?
2-[(aminodiazenyl)methyl]-3,4-dihydropyridine has a molecular weight of 138.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(aminodiazenyl)methyl]-3,4-dihydropyridine is sourced from PubChem (CID 89489155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).