azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine

C12H14ClN3 — CID 174503477

IUPACazane;5-(2-chlorophenyl)-3,4-dimethylpyridazine
SMILESCc1nncc(-c2ccccc2Cl)c1C.N
InChIInChI=1S/C12H11ClN2.H3N/c1-8-9(2)15-14-7-11(8)10-5-3-4-6-12(10)13;/h3-7H,1-2H3;1H3
InChIKeyNQYDYFMNGSCWCD-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.58
Rot. Bonds1

About azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine

azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine (PubChem CID 174503477) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine.

Molecular Properties

Compound Nameazane;5-(2-chlorophenyl)-3,4-dimethylpyridazine
PubChem CID174503477
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Nameazane;5-(2-chlorophenyl)-3,4-dimethylpyridazine
SMILESCc1nncc(-c2ccccc2Cl)c1C.N
InChIInChI=1S/C12H11ClN2.H3N/c1-8-9(2)15-14-7-11(8)10-5-3-4-6-12(10)13;/h3-7H,1-2H3;1H3
InChIKeyNQYDYFMNGSCWCD-UHFFFAOYSA-N
XLogP3.58
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-3,4-dimethylpyridin-2-amine
CID 69070173
5-(2-chlorophenyl)-3-methoxypyridazine-4-carboxylic acid
CID 117127342
azane;1,2-dichlorobenzene
CID 70584322
5-(2-chlorophenyl)-6-methyl-1H-pyrimidin-2-one
CID 142606742
5-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 69068854
4-(2-chlorophenyl)triazine
CID 22902708
4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 122449325
3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine;hydrofluoride
CID 174661750
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
2-(2-chlorophenyl)-3-methylimidazol-4-ol
CID 19743684
(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587738
5-(2-chlorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260757

Frequently Asked Questions

What is the IUPAC name of azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine?
The IUPAC name of azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine (CID 174503477) is azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine.
What is the SMILES notation for azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine?
The canonical SMILES for azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine is Cc1nncc(-c2ccccc2Cl)c1C.N.
What is the InChIKey of azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine?
The InChIKey is NQYDYFMNGSCWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.H3N/c1-8-9(2)15-14-7-11(8)10-5-3-4-6-12(10)13;/h3-7H,1-2H3;1H3.
What are the key properties of azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine?
azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine has a molecular weight of 235.72 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-(2-chlorophenyl)-3,4-dimethylpyridazine is sourced from PubChem (CID 174503477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).