N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine

C16H16N4 — CID 171327483

IUPACN,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
SMILESCc1nnc(N(C)Cc2ccccn2)c2ccccc12
InChIInChI=1S/C16H16N4/c1-12-14-8-3-4-9-15(14)16(19-18-12)20(2)11-13-7-5-6-10-17-13/h3-10H,11H2,1-2H3
InChIKeyPHBOUYLTPOEMQR-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.97
Rot. Bonds3

About N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine

N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine (PubChem CID 171327483) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
PubChem CID171327483
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
SMILESCc1nnc(N(C)Cc2ccccn2)c2ccccc12
InChIInChI=1S/C16H16N4/c1-12-14-8-3-4-9-15(14)16(19-18-12)20(2)11-13-7-5-6-10-17-13/h3-10H,11H2,1-2H3
InChIKeyPHBOUYLTPOEMQR-UHFFFAOYSA-N
XLogP2.97
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
N-[(4-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60875525
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
N-[(3-aminophenyl)methyl]-N,4-dimethylphthalazin-1-amine
CID 60877425
4-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 80507638
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
N,5,6-trimethyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 134710183
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 171691640

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The IUPAC name of N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine (CID 171327483) is N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine is Cc1nnc(N(C)Cc2ccccn2)c2ccccc12.
What is the InChIKey of N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The InChIKey is PHBOUYLTPOEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-14-8-3-4-9-15(14)16(19-18-12)20(2)11-13-7-5-6-10-17-13/h3-10H,11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 171327483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).