N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C21H18N4 — CID 6419387

IUPACN-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
InChIInChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyUTBZTQCKLUFYTQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.67
Rot. Bonds4

About N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6419387) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6419387
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC NameN-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
InChIInChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
InChIKeyUTBZTQCKLUFYTQ-UHFFFAOYSA-N
XLogP4.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6419387) is N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is UTBZTQCKLUFYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 326.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6419387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).