3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine

C12H12ClN3 — CID 13163232

IUPAC3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine
SMILESCN(C)c1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C12H12ClN3/c1-16(2)11-8-10(14-15-12(11)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyYJVOHRIWDUUTRN-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.86
Rot. Bonds2

About 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine

3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine (PubChem CID 13163232) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine
PubChem CID13163232
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine
SMILESCN(C)c1cc(-c2ccccc2)nnc1Cl
InChIInChI=1S/C12H12ClN3/c1-16(2)11-8-10(14-15-12(11)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyYJVOHRIWDUUTRN-UHFFFAOYSA-N
XLogP2.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine?
The IUPAC name of 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine (CID 13163232) is 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine.
What is the SMILES notation for 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine?
The canonical SMILES for 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine is CN(C)c1cc(-c2ccccc2)nnc1Cl.
What is the InChIKey of 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine?
The InChIKey is YJVOHRIWDUUTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-16(2)11-8-10(14-15-12(11)13)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine?
3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-6-phenylpyridazin-4-amine is sourced from PubChem (CID 13163232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).