4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine

C15H13ClN4 — CID 62141726

IUPAC4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
SMILESCN(Cc1ccccn1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H13ClN4/c1-20(10-11-6-4-5-9-17-11)15-13-8-3-2-7-12(13)14(16)18-19-15/h2-9H,10H2,1H3
InChIKeyXTTFLJWYEUWBQB-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine

4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine (PubChem CID 62141726) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
PubChem CID62141726
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
SMILESCN(Cc1ccccn1)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H13ClN4/c1-20(10-11-6-4-5-9-17-11)15-13-8-3-2-7-12(13)14(16)18-19-15/h2-9H,10H2,1H3
InChIKeyXTTFLJWYEUWBQB-UHFFFAOYSA-N
XLogP3.31
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 171327483
4-chloro-N-ethyl-N-methylphthalazin-1-amine
CID 62141193
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylphthalazin-1-amine
CID 62141923
4-chloro-N-methyl-N-(thiophen-2-ylmethyl)phthalazin-1-amine
CID 55040840
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
7-chloro-N-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 86839611
6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971182

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine (CID 62141726) is 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine is CN(Cc1ccccn1)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The InChIKey is XTTFLJWYEUWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-20(10-11-6-4-5-9-17-11)15-13-8-3-2-7-12(13)14(16)18-19-15/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine has a molecular weight of 284.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 62141726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).