N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine

C20H19ClN4 — CID 6419384

IUPACN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3c2CCCC3)cc1
InChIInChI=1S/C20H19ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h5-12H,1-4,13H2,(H,23,25)
InChIKeyAUVPHBMIZZPXIK-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.74
Rot. Bonds4

About N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine (PubChem CID 6419384) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine
PubChem CID6419384
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3c2CCCC3)cc1
InChIInChI=1S/C20H19ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h5-12H,1-4,13H2,(H,23,25)
InChIKeyAUVPHBMIZZPXIK-UHFFFAOYSA-N
XLogP4.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine (CID 6419384) is N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine is Clc1ccc(Nc2nnc(Cc3ccncc3)c3c2CCCC3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine?
The InChIKey is AUVPHBMIZZPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h5-12H,1-4,13H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine?
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine has a molecular weight of 350.85 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydrophthalazin-1-amine is sourced from PubChem (CID 6419384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).