4-pyridazin-4-ylpyrimidine

C8H6N4 — CID 134913021

IUPAC4-pyridazin-4-ylpyrimidine
SMILESc1cc(-c2ccnnc2)ncn1
InChIInChI=1S/C8H6N4/c1-4-11-12-5-7(1)8-2-3-9-6-10-8/h1-6H
InChIKeyXXTYHAFSJIWNJN-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.93
Rot. Bonds1

About 4-pyridazin-4-ylpyrimidine

4-pyridazin-4-ylpyrimidine (PubChem CID 134913021) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-pyridazin-4-ylpyrimidine.

Molecular Properties

Compound Name4-pyridazin-4-ylpyrimidine
PubChem CID134913021
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name4-pyridazin-4-ylpyrimidine
SMILESc1cc(-c2ccnnc2)ncn1
InChIInChI=1S/C8H6N4/c1-4-11-12-5-7(1)8-2-3-9-6-10-8/h1-6H
InChIKeyXXTYHAFSJIWNJN-UHFFFAOYSA-N
XLogP0.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-Cyclopropyl-N-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-2-pyrimidinamine
CID 10236275
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
5-Methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2295889
4,6-dimethyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrimidine
CID 9609651

Frequently Asked Questions

What is the IUPAC name of 4-pyridazin-4-ylpyrimidine?
The IUPAC name of 4-pyridazin-4-ylpyrimidine (CID 134913021) is 4-pyridazin-4-ylpyrimidine.
What is the SMILES notation for 4-pyridazin-4-ylpyrimidine?
The canonical SMILES for 4-pyridazin-4-ylpyrimidine is c1cc(-c2ccnnc2)ncn1.
What is the InChIKey of 4-pyridazin-4-ylpyrimidine?
The InChIKey is XXTYHAFSJIWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-4-11-12-5-7(1)8-2-3-9-6-10-8/h1-6H.
What are the key properties of 4-pyridazin-4-ylpyrimidine?
4-pyridazin-4-ylpyrimidine has a molecular weight of 158.16 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridazin-4-ylpyrimidine is sourced from PubChem (CID 134913021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).