6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine

C18H16Cl2N4 — CID 117072548

IUPAC6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
SMILESClc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
InChIInChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
InChIKeyABGOSOMRWSYAOB-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.35
Rot. Bonds3

About 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine

6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine (PubChem CID 117072548) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine.

Molecular Properties

Compound Name6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
PubChem CID117072548
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
SMILESClc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl
InChIInChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
InChIKeyABGOSOMRWSYAOB-UHFFFAOYSA-N
XLogP5.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine?
The IUPAC name of 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine (CID 117072548) is 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine.
What is the SMILES notation for 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine?
The canonical SMILES for 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine is Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl.
What is the InChIKey of 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine?
The InChIKey is ABGOSOMRWSYAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24).
What are the key properties of 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine?
6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine has a molecular weight of 359.26 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine is sourced from PubChem (CID 117072548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).