(3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride

C16H19ClF3N5O — CID 53322455

About (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride

(3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride (PubChem CID 53322455) has the molecular formula C16H19ClF3N5O and a molecular weight of 389.81 g/mol. Its IUPAC name is (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride.

Molecular Properties

• Compound Name: (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
• PubChem CID: 53322455
• Molecular Formula: C16H19ClF3N5O
• Molecular Weight: 389.81 g/mol
• Exact Mass: 389.12
• IUPAC Name: (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
• SMILES: Cc1nnn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.Cl
• InChI: InChI=1S/C16H18F3N5O.ClH/c1-9-15-8-23(2-3-24(15)22-21-9)16(25)6-11(20)4-10-5-13(18)14(19)7-12(10)17;/h5,7,11H,2-4,6,8,20H2,1H3;1H/t11-;/m1./s1
• InChIKey: ADQALUKPQCZQCB-RFVHGSKJSA-N
• XLogP: 1.73
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.81
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride?

The IUPAC name of (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride (CID 53322455) is (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride.

What is the SMILES notation for (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride?

The canonical SMILES for (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride is Cc1nnn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.Cl.

What is the InChIKey of (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride?

The InChIKey is ADQALUKPQCZQCB-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H18F3N5O.ClH/c1-9-15-8-23(2-3-24(15)22-21-9)16(25)6-11(20)4-10-5-13(18)14(19)7-12(10)17;/h5,7,11H,2-4,6,8,20H2,1H3;1H/t11-;/m1./s1.

What are the key properties of (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride?

(3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride has a molecular weight of 389.81 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-(3-methyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 53322455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).