N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C24H24N4 — CID 6419388

IUPACN-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyMSXAXOGMQYORSO-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.66
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6419388) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6419388
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC NameN-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyMSXAXOGMQYORSO-UHFFFAOYSA-N
XLogP5.66
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6419388) is N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is MSXAXOGMQYORSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 368.48 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6419388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).