3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

C15H14N6O2 — CID 7313813

IUPAC3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C15H14N6O2/c1-8-5-9(2)21-15(17-8)13(14(16)20-21)19-18-10-3-4-11-12(6-10)23-7-22-11/h3-6H,7H2,1-2H3,(H2,16,20)/b19-18+
InChIKeyIQBWWAVTIRXBLZ-VHEBQXMUSA-N
MW310.32 g/mol
LogP3.07
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 7313813) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID7313813
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3ccc4c(c3)OCO4)c2n1
InChIInChI=1S/C15H14N6O2/c1-8-5-9(2)21-15(17-8)13(14(16)20-21)19-18-10-3-4-11-12(6-10)23-7-22-11/h3-6H,7H2,1-2H3,(H2,16,20)/b19-18+
InChIKeyIQBWWAVTIRXBLZ-VHEBQXMUSA-N
XLogP3.07
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
4-(1,3-Benzodioxol-5-ylhydrazinylidene)-5-imino-1-phenyl-3-pyrazolamine
CID 135431530
Benzo[1,3]dioxol-5-yl-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 650528
N-(1,3-Benzodioxol-5-yl)-5-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653043
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 666764
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2438361
N-1,3-benzodioxol-5-yltetrazolo[1,5-a]quinoxalin-4-amine
CID 3239576
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307761
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308994
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22432340
2-N-(1,3-benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 72194532

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 7313813) is 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(N)c(/N=N/c3ccc4c(c3)OCO4)c2n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is IQBWWAVTIRXBLZ-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-8-5-9(2)21-15(17-8)13(14(16)20-21)19-18-10-3-4-11-12(6-10)23-7-22-11/h3-6H,7H2,1-2H3,(H2,16,20)/b19-18+.
What are the key properties of 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 310.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 7313813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).