cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid

C26H24N6O3 — CID 67549528

About cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid

cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid (PubChem CID 67549528) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid.

Molecular Properties

• Compound Name: cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid
• PubChem CID: 67549528
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid
• SMILES: C1CC1.COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(NC(=O)O)cc4)nn23)cc1
• InChI: InChI=1S/C23H18N6O3.C3H6/c1-32-17-12-6-14(7-13-17)21-26-27-22-19-5-3-2-4-18(19)20(28-29(21)22)24-15-8-10-16(11-9-15)25-23(30)31;1-2-3-1/h2-13,25H,1H3,(H,24,28)(H,30,31);1-3H2
• InChIKey: JDTAWIUCYKXQRJ-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 113.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid?

The IUPAC name of cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid (CID 67549528) is cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid.

What is the SMILES notation for cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid?

The canonical SMILES for cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid is C1CC1.COc1ccc(-c2nnc3c4ccccc4c(Nc4ccc(NC(=O)O)cc4)nn23)cc1.

What is the InChIKey of cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid?

The InChIKey is JDTAWIUCYKXQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3.C3H6/c1-32-17-12-6-14(7-13-17)21-26-27-22-19-5-3-2-4-18(19)20(28-29(21)22)24-15-8-10-16(11-9-15)25-23(30)31;1-2-3-1/h2-13,25H,1H3,(H,24,28)(H,30,31);1-3H2.

What are the key properties of cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid?

cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid has a molecular weight of 468.52 g/mol, XLogP of 5.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;[4-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino]phenyl]carbamic acid is sourced from PubChem (CID 67549528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).