4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine

C15H19ClN4 — CID 105419814

IUPAC4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine
SMILESCN(C)C1(CNc2nnc(Cl)c3ccccc23)CCC1
InChIInChI=1S/C15H19ClN4/c1-20(2)15(8-5-9-15)10-17-14-12-7-4-3-6-11(12)13(16)18-19-14/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,19)
InChIKeySYCQRUSDDPAYLS-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.18
Rot. Bonds4

About 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine

4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine (PubChem CID 105419814) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine
PubChem CID105419814
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine
SMILESCN(C)C1(CNc2nnc(Cl)c3ccccc23)CCC1
InChIInChI=1S/C15H19ClN4/c1-20(2)15(8-5-9-15)10-17-14-12-7-4-3-6-11(12)13(16)18-19-14/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,19)
InChIKeySYCQRUSDDPAYLS-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethylphthalazin-1-amine
CID 62140798
3-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrazin-2-amine
CID 83112048
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
CID 83113894
N-tert-butyl-2-[(4-chlorophthalazin-1-yl)amino]acetamide
CID 115356830
4-chloro-6-[[1-(dimethylamino)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde
CID 105419815
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 62994226
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylquinolin-4-amine
CID 78953374
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine
CID 113494204
1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentan-1-ol
CID 61221861
4-chloro-N-cyclopentylphthalazin-1-amine
CID 62140614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine (CID 105419814) is 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine is CN(C)C1(CNc2nnc(Cl)c3ccccc23)CCC1.
What is the InChIKey of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine?
The InChIKey is SYCQRUSDDPAYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-20(2)15(8-5-9-15)10-17-14-12-7-4-3-6-11(12)13(16)18-19-14/h3-4,6-7H,5,8-10H2,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine?
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine has a molecular weight of 290.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]phthalazin-1-amine is sourced from PubChem (CID 105419814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).