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

(3,5-dimethyl-1H-pyrazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)diazene
CID 615958
3-hydroxy-4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]naphthalene-2-carboxylic acid
CID 3108214
4-(2-azidoethyl)-1,3,5-trimethylpyrazole
CID 23005972
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
(1,3,5-trimethylpyrazol-4-yl)boronic acid
CID 11171100
CID 59355466
CID 59355466
N-hydroxysulfanyl-1,3,5-trimethylpyrazol-4-amine
CID 129173858
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946
4-(cyclopropylmethoxy)-1,3,5-trimethylpyrazole
CID 130616608
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
1,3,5-trimethylpyrazole-4-sulfonyl chloride;hydrochloride
CID 51051877
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090

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).