bis(1,3,5-trimethylpyrazol-4-yl)diazene

C12H18N6 — CID 2805548

IUPACbis(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCc1nn(C)c(C)c1/N=N/c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N6/c1-7-11(9(3)17(5)15-7)13-14-12-8(2)16-18(6)10(12)4/h1-6H3/b14-13+
InChIKeyKTLZHPQQCOAZIJ-BUHFOSPRSA-N
MW246.32 g/mol
LogP2.80
Rot. Bonds2

About bis(1,3,5-trimethylpyrazol-4-yl)diazene

bis(1,3,5-trimethylpyrazol-4-yl)diazene (PubChem CID 2805548) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is bis(1,3,5-trimethylpyrazol-4-yl)diazene.

Molecular Properties

Compound Namebis(1,3,5-trimethylpyrazol-4-yl)diazene
PubChem CID2805548
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Namebis(1,3,5-trimethylpyrazol-4-yl)diazene
SMILESCc1nn(C)c(C)c1/N=N/c1c(C)nn(C)c1C
InChIInChI=1S/C12H18N6/c1-7-11(9(3)17(5)15-7)13-14-12-8(2)16-18(6)10(12)4/h1-6H3/b14-13+
InChIKeyKTLZHPQQCOAZIJ-BUHFOSPRSA-N
XLogP2.80
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 161603
CID 161603
CID 1125228
CID 1125228
CID 661322
CID 661322
CID 206692
CID 206692
CID 3031275
CID 3031275
CID 2328293
CID 2328293
CID 7164550
CID 7164550
CID 28412411
CID 28412411
CID 3722663
CID 3722663
CID 154882484
CID 154882484
CID 14872699
CID 14872699
CID 68381962
CID 68381962

Frequently Asked Questions

What is the IUPAC name of bis(1,3,5-trimethylpyrazol-4-yl)diazene?
The IUPAC name of bis(1,3,5-trimethylpyrazol-4-yl)diazene (CID 2805548) is bis(1,3,5-trimethylpyrazol-4-yl)diazene.
What is the SMILES notation for bis(1,3,5-trimethylpyrazol-4-yl)diazene?
The canonical SMILES for bis(1,3,5-trimethylpyrazol-4-yl)diazene is Cc1nn(C)c(C)c1/N=N/c1c(C)nn(C)c1C.
What is the InChIKey of bis(1,3,5-trimethylpyrazol-4-yl)diazene?
The InChIKey is KTLZHPQQCOAZIJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H18N6/c1-7-11(9(3)17(5)15-7)13-14-12-8(2)16-18(6)10(12)4/h1-6H3/b14-13+.
What are the key properties of bis(1,3,5-trimethylpyrazol-4-yl)diazene?
bis(1,3,5-trimethylpyrazol-4-yl)diazene has a molecular weight of 246.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3,5-trimethylpyrazol-4-yl)diazene is sourced from PubChem (CID 2805548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).