N-(1-pyridin-3-ylethyl)phthalazin-1-amine

C15H14N4 — CID 43396321

IUPACN-(1-pyridin-3-ylethyl)phthalazin-1-amine
SMILESCC(Nc1nncc2ccccc12)c1cccnc1
InChIInChI=1S/C15H14N4/c1-11(12-6-4-8-16-9-12)18-15-14-7-3-2-5-13(14)10-17-19-15/h2-11H,1H3,(H,18,19)
InChIKeyALQUETIIXBSPPX-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.20
Rot. Bonds3

About N-(1-pyridin-3-ylethyl)phthalazin-1-amine

N-(1-pyridin-3-ylethyl)phthalazin-1-amine (PubChem CID 43396321) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)phthalazin-1-amine
PubChem CID43396321
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC NameN-(1-pyridin-3-ylethyl)phthalazin-1-amine
SMILESCC(Nc1nncc2ccccc12)c1cccnc1
InChIInChI=1S/C15H14N4/c1-11(12-6-4-8-16-9-12)18-15-14-7-3-2-5-13(14)10-17-19-15/h2-11H,1H3,(H,18,19)
InChIKeyALQUETIIXBSPPX-UHFFFAOYSA-N
XLogP3.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]phthalazin-1-amine
CID 175744236
3,6-dichloro-N-(1-pyridin-3-ylethyl)-1,2,4-triazin-5-amine
CID 81036306
2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 170158881
N-(1-pyrazol-1-ylpropan-2-yl)phthalazin-1-amine
CID 54937576
N-(4-phenylbutan-2-yl)phthalazin-1-amine
CID 60631726
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
5-amino-6-(1-pyridin-3-ylethylamino)pyridine-2-carboxamide
CID 114405461
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
5-bromo-2-hydrazinyl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907398

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)phthalazin-1-amine?
The IUPAC name of N-(1-pyridin-3-ylethyl)phthalazin-1-amine (CID 43396321) is N-(1-pyridin-3-ylethyl)phthalazin-1-amine.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)phthalazin-1-amine?
The canonical SMILES for N-(1-pyridin-3-ylethyl)phthalazin-1-amine is CC(Nc1nncc2ccccc12)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)phthalazin-1-amine?
The InChIKey is ALQUETIIXBSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11(12-6-4-8-16-9-12)18-15-14-7-3-2-5-13(14)10-17-19-15/h2-11H,1H3,(H,18,19).
What are the key properties of N-(1-pyridin-3-ylethyl)phthalazin-1-amine?
N-(1-pyridin-3-ylethyl)phthalazin-1-amine has a molecular weight of 250.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 43396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).