2,4-didiazoadamantane

C10H12N4 — CID 560898

IUPAC2,4-didiazoadamantane
SMILES[N-]=[N+]=C1C2CC3CC(C2)C(=[N+]=[N-])C1C3
InChIInChI=1S/C10H12N4/c11-13-9-6-1-5-2-7(4-6)10(14-12)8(9)3-5/h5-8H,1-4H2
InChIKeyUPEMCUYNKDCIDE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds

About 2,4-didiazoadamantane

2,4-didiazoadamantane (PubChem CID 560898) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2,4-didiazoadamantane.

Molecular Properties

Compound Name2,4-didiazoadamantane
PubChem CID560898
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2,4-didiazoadamantane
SMILES[N-]=[N+]=C1C2CC3CC(C2)C(=[N+]=[N-])C1C3
InChIInChI=1S/C10H12N4/c11-13-9-6-1-5-2-7(4-6)10(14-12)8(9)3-5/h5-8H,1-4H2
InChIKeyUPEMCUYNKDCIDE-UHFFFAOYSA-N
XLogP1.39
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Bis(adamantan-2-ylidene)hydrazine
CID 535070
Diazoadamantane
CID 560893
Adamantanonimine
CID 3028234
2-Adamantylidenehydrazine
CID 13017044
Diazobicyclo-(2,2,2)-octane
CID 15079921
2-(2-Adamantylideneamino)guanidine
CID 8037561
2-[[4-(Diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
CID 78096015
2-[[6-(Diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
CID 102193358
2-[(Z)-[(4Z)-4-(diaminomethylidenehydrazinylidene)-2-adamantylidene]amino]guanidine
CID 135027223
N'-(2-adamantylideneamino)methanediimine
CID 135043577
Diazodiamantane
CID 561689
2,6-Bis(diazo)adamantane
CID 562320

Frequently Asked Questions

What is the IUPAC name of 2,4-didiazoadamantane?
The IUPAC name of 2,4-didiazoadamantane (CID 560898) is 2,4-didiazoadamantane.
What is the SMILES notation for 2,4-didiazoadamantane?
The canonical SMILES for 2,4-didiazoadamantane is [N-]=[N+]=C1C2CC3CC(C2)C(=[N+]=[N-])C1C3.
What is the InChIKey of 2,4-didiazoadamantane?
The InChIKey is UPEMCUYNKDCIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-13-9-6-1-5-2-7(4-6)10(14-12)8(9)3-5/h5-8H,1-4H2.
What are the key properties of 2,4-didiazoadamantane?
2,4-didiazoadamantane has a molecular weight of 188.23 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-didiazoadamantane is sourced from PubChem (CID 560898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).