1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene

C9H8N8 — CID 137175749

IUPAC1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene
SMILESc1c[nH]c(N=Nc2ncc(-c3ncc[nH]3)[nH]2)n1
InChIInChI=1S/C9H8N8/c1-2-11-7(10-1)6-5-14-9(15-6)17-16-8-12-3-4-13-8/h1-5H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyMVUQQXNFLVEEAU-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.94
Rot. Bonds3

About 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene

1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene (PubChem CID 137175749) has the molecular formula C9H8N8 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene.

Molecular Properties

Compound Name1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene
PubChem CID137175749
Molecular FormulaC9H8N8
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene
SMILESc1c[nH]c(N=Nc2ncc(-c3ncc[nH]3)[nH]2)n1
InChIInChI=1S/C9H8N8/c1-2-11-7(10-1)6-5-14-9(15-6)17-16-8-12-3-4-13-8/h1-5H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyMVUQQXNFLVEEAU-UHFFFAOYSA-N
XLogP1.94
TPSA110.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene?
The IUPAC name of 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene (CID 137175749) is 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene.
What is the SMILES notation for 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene?
The canonical SMILES for 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene is c1c[nH]c(N=Nc2ncc(-c3ncc[nH]3)[nH]2)n1.
What is the InChIKey of 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene?
The InChIKey is MVUQQXNFLVEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N8/c1-2-11-7(10-1)6-5-14-9(15-6)17-16-8-12-3-4-13-8/h1-5H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene?
1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene has a molecular weight of 228.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]diazene is sourced from PubChem (CID 137175749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).