2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid

C20H24N6O2 — CID 122061224

About 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122061224) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid
• PubChem CID: 122061224
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid
• SMILES: Cc1nnc2c3ccccc3c(NC3CC(N(CC(=O)O)CC4CC4)C3)nn12
• InChI: InChI=1S/C20H24N6O2/c1-12-22-23-20-17-5-3-2-4-16(17)19(24-26(12)20)21-14-8-15(9-14)25(11-18(27)28)10-13-6-7-13/h2-5,13-15H,6-11H2,1H3,(H,21,24)(H,27,28)
• InChIKey: QNTQPRUCVREGTA-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 95.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid?

The IUPAC name of 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid (CID 122061224) is 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid.

What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid?

The canonical SMILES for 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid is Cc1nnc2c3ccccc3c(NC3CC(N(CC(=O)O)CC4CC4)C3)nn12.

What is the InChIKey of 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid?

The InChIKey is QNTQPRUCVREGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-22-23-20-17-5-3-2-4-16(17)19(24-26(12)20)21-14-8-15(9-14)25(11-18(27)28)10-13-6-7-13/h2-5,13-15H,6-11H2,1H3,(H,21,24)(H,27,28).

What are the key properties of 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid?

2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 380.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropylmethyl-[3-[(3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).