bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene

C12H16N8 — CID 123318955

IUPACbis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene
SMILESCn1nc(/N=N/c2nn(C)c3c2CNC3)c2c1CNC2
InChIInChI=1S/C12H16N8/c1-19-9-5-13-3-7(9)11(17-19)15-16-12-8-4-14-6-10(8)20(2)18-12/h13-14H,3-6H2,1-2H3/b16-15+
InChIKeyGGQGLUNHBHYZCH-FOCLMDBBSA-N
MW272.32 g/mol
LogP0.78
Rot. Bonds2

About bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene

bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene (PubChem CID 123318955) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene.

Molecular Properties

Compound Namebis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene
PubChem CID123318955
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Namebis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene
SMILESCn1nc(/N=N/c2nn(C)c3c2CNC3)c2c1CNC2
InChIInChI=1S/C12H16N8/c1-19-9-5-13-3-7(9)11(17-19)15-16-12-8-4-14-6-10(8)20(2)18-12/h13-14H,3-6H2,1-2H3/b16-15+
InChIKeyGGQGLUNHBHYZCH-FOCLMDBBSA-N
XLogP0.78
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
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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Related Compounds

1-Methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82651144
1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-amine dihydrochloride
CID 121553157
(E)-3,3'-(Diazene-1,2-diyl)bis(1-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-5-ium) dinitrate dihydrate
CID 139082830
1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 105429784
5-Tert-butyl-1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 105462291
2-Methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine
CID 71647972
1-Methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83846562
5-Methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83862149
1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83862152
N,1,5-trimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83862226
N,1-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83862229
2-methyl-3-pyrrolidin-1-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 83863050

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene?
The IUPAC name of bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene (CID 123318955) is bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene.
What is the SMILES notation for bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene?
The canonical SMILES for bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene is Cn1nc(/N=N/c2nn(C)c3c2CNC3)c2c1CNC2.
What is the InChIKey of bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene?
The InChIKey is GGQGLUNHBHYZCH-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H16N8/c1-19-9-5-13-3-7(9)11(17-19)15-16-12-8-4-14-6-10(8)20(2)18-12/h13-14H,3-6H2,1-2H3/b16-15+.
What are the key properties of bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene?
bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene has a molecular weight of 272.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene is sourced from PubChem (CID 123318955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).