2,4-diazido-1,3,5-trimethylbenzene

C9H10N6 — CID 71379513

IUPAC2,4-diazido-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(N=[N+]=[N-])c(C)c1N=[N+]=[N-]
InChIInChI=1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3
InChIKeyLAOFZMXMVSVMQS-UHFFFAOYSA-N
MW202.22 g/mol
LogP4.50
Rot. Bonds2

About 2,4-diazido-1,3,5-trimethylbenzene

2,4-diazido-1,3,5-trimethylbenzene (PubChem CID 71379513) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2,4-diazido-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2,4-diazido-1,3,5-trimethylbenzene
PubChem CID71379513
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2,4-diazido-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(N=[N+]=[N-])c(C)c1N=[N+]=[N-]
InChIInChI=1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3
InChIKeyLAOFZMXMVSVMQS-UHFFFAOYSA-N
XLogP4.50
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.50
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 7261
CID 7261
CID 6896
CID 6896
CID 6913
CID 6913
CID 76547
CID 76547
CID 90536
CID 90536
CID 19869829
CID 19869829
CID 5284471
CID 5284471
CID 66799
CID 66799
CID 24834553
CID 24834553
CID 66605
CID 66605
CID 22796
CID 22796
CID 142495
CID 142495

Frequently Asked Questions

What is the IUPAC name of 2,4-diazido-1,3,5-trimethylbenzene?
The IUPAC name of 2,4-diazido-1,3,5-trimethylbenzene (CID 71379513) is 2,4-diazido-1,3,5-trimethylbenzene.
What is the SMILES notation for 2,4-diazido-1,3,5-trimethylbenzene?
The canonical SMILES for 2,4-diazido-1,3,5-trimethylbenzene is Cc1cc(C)c(N=[N+]=[N-])c(C)c1N=[N+]=[N-].
What is the InChIKey of 2,4-diazido-1,3,5-trimethylbenzene?
The InChIKey is LAOFZMXMVSVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3.
What are the key properties of 2,4-diazido-1,3,5-trimethylbenzene?
2,4-diazido-1,3,5-trimethylbenzene has a molecular weight of 202.22 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazido-1,3,5-trimethylbenzene is sourced from PubChem (CID 71379513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).