(2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride

C19H27Cl2N7O — CID 154896587

About (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride

(2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 154896587) has the molecular formula C19H27Cl2N7O and a molecular weight of 440.38 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
• PubChem CID: 154896587
• Molecular Formula: C19H27Cl2N7O
• Molecular Weight: 440.38 g/mol
• Exact Mass: 439.17
• IUPAC Name: (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
• SMILES: Cl.Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CCn2cncn2)CC1
• InChI: InChI=1S/C19H25N7O.2ClH/c20-17(11-15-12-22-18-4-2-1-3-16(15)18)19(27)25-8-5-24(6-9-25)7-10-26-14-21-13-23-26;;/h1-4,12-14,17,22H,5-11,20H2;2*1H/t17-;;/m1../s1
• InChIKey: QVJQFTASWOZBQO-ZEECNFPPSA-N
• XLogP: 1.32
• TPSA: 96.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.38
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?

The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 154896587) is (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride.

What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?

The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CCn2cncn2)CC1.

What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?

The InChIKey is QVJQFTASWOZBQO-ZEECNFPPSA-N. The full InChI is InChI=1S/C19H25N7O.2ClH/c20-17(11-15-12-22-18-4-2-1-3-16(15)18)19(27)25-8-5-24(6-9-25)7-10-26-14-21-13-23-26;;/h1-4,12-14,17,22H,5-11,20H2;2*1H/t17-;;/m1../s1.

What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?

(2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 440.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-(1H-indol-3-yl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 154896587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).