6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine

C13H18N6 — CID 137257070

IUPAC6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine
SMILESCCn1cc(C2=CC(=N\C)/C(=N\C)C(=N\C)/N2)cn1
InChIInChI=1S/C13H18N6/c1-5-19-8-9(7-17-19)10-6-11(14-2)12(15-3)13(16-4)18-10/h6-8H,5H2,1-4H3,(H,16,18)/b14-11+,15-12+
InChIKeyNMSQJOBNXDKWIM-LCPPQYOVSA-N
MW258.33 g/mol
LogP1.02
Rot. Bonds2

About 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine

6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine (PubChem CID 137257070) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine
PubChem CID137257070
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine
SMILESCCn1cc(C2=CC(=N\C)/C(=N\C)C(=N\C)/N2)cn1
InChIInChI=1S/C13H18N6/c1-5-19-8-9(7-17-19)10-6-11(14-2)12(15-3)13(16-4)18-10/h6-8H,5H2,1-4H3,(H,16,18)/b14-11+,15-12+
InChIKeyNMSQJOBNXDKWIM-LCPPQYOVSA-N
XLogP1.02
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine (CID 137257070) is 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine is CCn1cc(C2=CC(=N\C)/C(=N\C)C(=N\C)/N2)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine?
The InChIKey is NMSQJOBNXDKWIM-LCPPQYOVSA-N. The full InChI is InChI=1S/C13H18N6/c1-5-19-8-9(7-17-19)10-6-11(14-2)12(15-3)13(16-4)18-10/h6-8H,5H2,1-4H3,(H,16,18)/b14-11+,15-12+.
What are the key properties of 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine?
6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine has a molecular weight of 258.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)-2-N,3-N,4-N-trimethyl-1H-pyridine-2,3,4-triimine is sourced from PubChem (CID 137257070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).