[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C12H17BrN8 — CID 80901478

IUPAC[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCc1nn(-c2nc(NN)nc(N3CCCC3)n2)c(C)c1Br
InChIInChI=1S/C12H17BrN8/c1-7-9(13)8(2)21(19-7)12-16-10(18-14)15-11(17-12)20-5-3-4-6-20/h3-6,14H2,1-2H3,(H,15,16,17,18)
InChIKeyWMFKXRCNCXDLRK-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.32
Rot. Bonds3

About [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80901478) has the molecular formula C12H17BrN8 and a molecular weight of 353.23 g/mol. Its IUPAC name is [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80901478
Molecular FormulaC12H17BrN8
Molecular Weight353.23 g/mol
Exact Mass352.08
IUPAC Name[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCc1nn(-c2nc(NN)nc(N3CCCC3)n2)c(C)c1Br
InChIInChI=1S/C12H17BrN8/c1-7-9(13)8(2)21(19-7)12-16-10(18-14)15-11(17-12)20-5-3-4-6-20/h3-6,14H2,1-2H3,(H,15,16,17,18)
InChIKeyWMFKXRCNCXDLRK-UHFFFAOYSA-N
XLogP1.32
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80901478) is [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is Cc1nn(-c2nc(NN)nc(N3CCCC3)n2)c(C)c1Br.
What is the InChIKey of [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is WMFKXRCNCXDLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN8/c1-7-9(13)8(2)21(19-7)12-16-10(18-14)15-11(17-12)20-5-3-4-6-20/h3-6,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 353.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80901478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).