5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine

C14H14N6 — CID 3456545

IUPAC5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3ccccc3)c2n1
InChIInChI=1S/C14H14N6/c1-9-8-10(2)20-14(16-9)12(13(15)19-20)18-17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,19)/b18-17+
InChIKeyXZQIKWYPMKXWAY-ISLYRVAYSA-N
MW266.31 g/mol
LogP3.34
Rot. Bonds2

About 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine

5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 3456545) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID3456545
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(C)n2nc(N)c(/N=N/c3ccccc3)c2n1
InChIInChI=1S/C14H14N6/c1-9-8-10(2)20-14(16-9)12(13(15)19-20)18-17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,19)/b18-17+
InChIKeyXZQIKWYPMKXWAY-ISLYRVAYSA-N
XLogP3.34
TPSA80.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

Dsm-265
CID 51347395
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
6-Methyl-1H-pyrazolo(3,4-b)pyridin-3-amine
CID 768687
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
1H-Pyrazolo[3,4-b]quinoxalin-3-amine
CID 438981
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307386
2-(1,1-Difluoroethyl)-5-Methyl-N-[4-(Trifluoromethyl)phenyl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 51349276
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine (CID 3456545) is 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine is Cc1cc(C)n2nc(N)c(/N=N/c3ccccc3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is XZQIKWYPMKXWAY-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-8-10(2)20-14(16-9)12(13(15)19-20)18-17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,19)/b18-17+.
What are the key properties of 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 266.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-phenyldiazenylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 3456545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).