3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile

C13H13N5O — CID 107662868

IUPAC3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1nc(NN)ncc1C
InChIInChI=1S/C13H13N5O/c1-8-3-4-10(6-14)5-11(8)19-12-9(2)7-16-13(17-12)18-15/h3-5,7H,15H2,1-2H3,(H,16,17,18)
InChIKeyRUNNNNMPMBCBGF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.04
Rot. Bonds3

About 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile

3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile (PubChem CID 107662868) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
PubChem CID107662868
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1nc(NN)ncc1C
InChIInChI=1S/C13H13N5O/c1-8-3-4-10(6-14)5-11(8)19-12-9(2)7-16-13(17-12)18-15/h3-5,7H,15H2,1-2H3,(H,16,17,18)
InChIKeyRUNNNNMPMBCBGF-UHFFFAOYSA-N
XLogP2.04
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.04
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 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile (CID 107662868) is 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile is Cc1ccc(C#N)cc1Oc1nc(NN)ncc1C.
What is the InChIKey of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The InChIKey is RUNNNNMPMBCBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-3-4-10(6-14)5-11(8)19-12-9(2)7-16-13(17-12)18-15/h3-5,7H,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107662868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).