(Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene

C24H32N8 — CID 75538901

IUPAC(Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene
SMILESc1nc(/N=N\c2ncn(C34CC5CC(CC(C5)C3)C4)n2)nn1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N8/c1-15-2-17-3-16(1)8-23(7-15,9-17)31-13-25-21(29-31)27-28-22-26-14-32(30-22)24-10-18-4-19(11-24)6-20(5-18)12-24/h13-20H,1-12H2/b28-27-
InChIKeyHYRDSCVSTWCKJS-DQSJHHFOSA-N
MW432.58 g/mol
LogP5.14
Rot. Bonds4

About (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene

(Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene (PubChem CID 75538901) has the molecular formula C24H32N8 and a molecular weight of 432.58 g/mol. Its IUPAC name is (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene.

Molecular Properties

Compound Name(Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene
PubChem CID75538901
Molecular FormulaC24H32N8
Molecular Weight432.58 g/mol
Exact Mass432.27
IUPAC Name(Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene
SMILESc1nc(/N=N\c2ncn(C34CC5CC(CC(C5)C3)C4)n2)nn1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H32N8/c1-15-2-17-3-16(1)8-23(7-15,9-17)31-13-25-21(29-31)27-28-22-26-14-32(30-22)24-10-18-4-19(11-24)6-20(5-18)12-24/h13-20H,1-12H2/b28-27-
InChIKeyHYRDSCVSTWCKJS-DQSJHHFOSA-N
XLogP5.14
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene?
The IUPAC name of (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene (CID 75538901) is (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene.
What is the SMILES notation for (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene?
The canonical SMILES for (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene is c1nc(/N=N\c2ncn(C34CC5CC(CC(C5)C3)C4)n2)nn1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene?
The InChIKey is HYRDSCVSTWCKJS-DQSJHHFOSA-N. The full InChI is InChI=1S/C24H32N8/c1-15-2-17-3-16(1)8-23(7-15,9-17)31-13-25-21(29-31)27-28-22-26-14-32(30-22)24-10-18-4-19(11-24)6-20(5-18)12-24/h13-20H,1-12H2/b28-27-.
What are the key properties of (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene?
(Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene has a molecular weight of 432.58 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-bis[1-(1-adamantyl)-1,2,4-triazol-3-yl]diazene is sourced from PubChem (CID 75538901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).