(3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium

C5H9N5O — CID 165430146

IUPAC(3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium
SMILESCc1cc(C)n([N+]([O-])=NN)n1
InChIInChI=1S/C5H9N5O/c1-4-3-5(2)9(7-4)10(11)8-6/h3H,6H2,1-2H3
InChIKeyPCDQDHQNXYCAFG-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.10
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium

(3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium (PubChem CID 165430146) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium
PubChem CID165430146
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name(3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium
SMILESCc1cc(C)n([N+]([O-])=NN)n1
InChIInChI=1S/C5H9N5O/c1-4-3-5(2)9(7-4)10(11)8-6/h3H,6H2,1-2H3
InChIKeyPCDQDHQNXYCAFG-UHFFFAOYSA-N
XLogP0.10
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethylpyrazol-1-amine;europium
CID 159380818
bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);ytterbium(2+)
CID 139133852
samarium;bis(tris(3,5-dimethylpyrazol-1-yl)boranuide)
CID 139133851
2-(3,5-dimethylpyrazol-1-yl)guanidine
CID 6453090
1-tert-butyl-3,5-dimethylpyrazole;methane
CID 159275422
boranuide;nickel(2+);tris(3,5-dimethylpyrazol-1-yl)boranuide
CID 139130888
CID 10897014
CID 10897014
tetrakis(iron(3+));tris(selenium(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;hexasulfide
CID 139121056
3,5-dimethylpyrazole-1-carbothioamide
CID 706477
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
1-(3,5-dimethylpyrazol-1-yl)-N-methylmethanimine
CID 18721438
1-[[2-(3,5-dimethylpyrazol-1-yl)-2-oxoacetyl]amino]-2-nitroguanidine
CID 135468902

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium (CID 165430146) is (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium is Cc1cc(C)n([N+]([O-])=NN)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium?
The InChIKey is PCDQDHQNXYCAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-4-3-5(2)9(7-4)10(11)8-6/h3H,6H2,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium?
(3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium has a molecular weight of 155.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-hydrazinylidene-oxidoazanium is sourced from PubChem (CID 165430146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).