1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine

C9H11N7 — CID 136961394

IUPAC1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
SMILESCn1nc(N)c(/N=N/c2ccncc2)c1N
InChIInChI=1S/C9H11N7/c1-16-9(11)7(8(10)15-16)14-13-6-2-4-12-5-3-6/h2-5H,11H2,1H3,(H2,10,15)/b14-13+
InChIKeyHUHDSOITAVSODF-BUHFOSPRSA-N
MW217.24 g/mol
LogP1.39
Rot. Bonds2

About 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine

1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine (PubChem CID 136961394) has the molecular formula C9H11N7 and a molecular weight of 217.24 g/mol. Its IUPAC name is 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine.

Molecular Properties

Compound Name1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
PubChem CID136961394
Molecular FormulaC9H11N7
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
SMILESCn1nc(N)c(/N=N/c2ccncc2)c1N
InChIInChI=1S/C9H11N7/c1-16-9(11)7(8(10)15-16)14-13-6-2-4-12-5-3-6/h2-5H,11H2,1H3,(H2,10,15)/b14-13+
InChIKeyHUHDSOITAVSODF-BUHFOSPRSA-N
XLogP1.39
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine?
The IUPAC name of 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine (CID 136961394) is 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine.
What is the SMILES notation for 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine?
The canonical SMILES for 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine is Cn1nc(N)c(/N=N/c2ccncc2)c1N.
What is the InChIKey of 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine?
The InChIKey is HUHDSOITAVSODF-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H11N7/c1-16-9(11)7(8(10)15-16)14-13-6-2-4-12-5-3-6/h2-5H,11H2,1H3,(H2,10,15)/b14-13+.
What are the key properties of 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine?
1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine has a molecular weight of 217.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine is sourced from PubChem (CID 136961394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).