(4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine

C12H12N6 — CID 80899788

IUPAC(4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine
SMILESCc1cc(-n2ncc3ccccc32)nc(NN)n1
InChIInChI=1S/C12H12N6/c1-8-6-11(16-12(15-8)17-13)18-10-5-3-2-4-9(10)7-14-18/h2-7H,13H2,1H3,(H,15,16,17)
InChIKeyCQSCMBJSOFVECT-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.41
Rot. Bonds2

About (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine

(4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine (PubChem CID 80899788) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine
PubChem CID80899788
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name(4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine
SMILESCc1cc(-n2ncc3ccccc32)nc(NN)n1
InChIInChI=1S/C12H12N6/c1-8-6-11(16-12(15-8)17-13)18-10-5-3-2-4-9(10)7-14-18/h2-7H,13H2,1H3,(H,15,16,17)
InChIKeyCQSCMBJSOFVECT-UHFFFAOYSA-N
XLogP1.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine?
The IUPAC name of (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine (CID 80899788) is (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine?
The canonical SMILES for (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine is Cc1cc(-n2ncc3ccccc32)nc(NN)n1.
What is the InChIKey of (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine?
The InChIKey is CQSCMBJSOFVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-6-11(16-12(15-8)17-13)18-10-5-3-2-4-9(10)7-14-18/h2-7H,13H2,1H3,(H,15,16,17).
What are the key properties of (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine?
(4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine has a molecular weight of 240.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-indazol-1-yl-6-methylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80899788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).