(1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene

C16H18N10 — CID 58090597

IUPAC(1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene
SMILESCCn1nc(C)n2nc(C)c(/N=N/c3c(C)cnn3-c3ncccn3)c12
InChIInChI=1S/C16H18N10/c1-5-24-15-13(11(3)22-25(15)12(4)23-24)20-21-14-10(2)9-19-26(14)16-17-7-6-8-18-16/h6-9H,5H2,1-4H3/b21-20+
InChIKeyOYPIQWTWWWBFBQ-QZQOTICOSA-N
MW350.39 g/mol
LogP2.87
Rot. Bonds4

About (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene

(1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene (PubChem CID 58090597) has the molecular formula C16H18N10 and a molecular weight of 350.39 g/mol. Its IUPAC name is (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene.

Molecular Properties

Compound Name(1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene
PubChem CID58090597
Molecular FormulaC16H18N10
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name(1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene
SMILESCCn1nc(C)n2nc(C)c(/N=N/c3c(C)cnn3-c3ncccn3)c12
InChIInChI=1S/C16H18N10/c1-5-24-15-13(11(3)22-25(15)12(4)23-24)20-21-14-10(2)9-19-26(14)16-17-7-6-8-18-16/h6-9H,5H2,1-4H3/b21-20+
InChIKeyOYPIQWTWWWBFBQ-QZQOTICOSA-N
XLogP2.87
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene?
The IUPAC name of (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene (CID 58090597) is (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene.
What is the SMILES notation for (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene?
The canonical SMILES for (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene is CCn1nc(C)n2nc(C)c(/N=N/c3c(C)cnn3-c3ncccn3)c12.
What is the InChIKey of (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene?
The InChIKey is OYPIQWTWWWBFBQ-QZQOTICOSA-N. The full InChI is InChI=1S/C16H18N10/c1-5-24-15-13(11(3)22-25(15)12(4)23-24)20-21-14-10(2)9-19-26(14)16-17-7-6-8-18-16/h6-9H,5H2,1-4H3/b21-20+.
What are the key properties of (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene?
(1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene has a molecular weight of 350.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,6-dimethylpyrazolo[5,1-c][1,2,4]triazol-7-yl)-(4-methyl-1-pyrimidin-2-ylpyrazol-5-yl)diazene is sourced from PubChem (CID 58090597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).