5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride

C16H18ClF3N6O2 — CID 53318491

IUPAC5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nnn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C16H17F3N6O2.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(20)5-14(26)24-1-2-25-13(7-24)15(16(21)27)22-23-25;/h4,6,9H,1-3,5,7,20H2,(H2,21,27);1H/t9-;/m1./s1
InChIKeyLKPYRTLKKCWUCC-SBSPUUFOSA-N
MW418.81 g/mol
LogP0.52
Rot. Bonds5

About 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride

5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride (PubChem CID 53318491) has the molecular formula C16H18ClF3N6O2 and a molecular weight of 418.81 g/mol. Its IUPAC name is 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride
PubChem CID53318491
Molecular FormulaC16H18ClF3N6O2
Molecular Weight418.81 g/mol
Exact Mass418.11
IUPAC Name5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nnn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2
InChIInChI=1S/C16H17F3N6O2.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(20)5-14(26)24-1-2-25-13(7-24)15(16(21)27)22-23-25;/h4,6,9H,1-3,5,7,20H2,(H2,21,27);1H/t9-;/m1./s1
InChIKeyLKPYRTLKKCWUCC-SBSPUUFOSA-N
XLogP0.52
TPSA120.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.81
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-1-[3-(trifluoromethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(E)-but-2-enedioic acid
CID 52918280
(3R)-3-amino-1-[3-(difluoromethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 53318461
5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride
CID 53318493
4-[5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]benzamide;hydrochloride
CID 53318497
(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
methyl 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride
CID 53326343
(3R)-3-amino-1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 53326369
4-[5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl]-N,N-dimethylbenzamide;hydrochloride
CID 53326371
4-[[1-(1,5-dimethyltriazole-4-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682479
US9598423, Example 2
CID 118062369
US9598423, Example 5
CID 118069143
1-Benzyl-N-[cis-4-(2-{[(4-Fluorophenyl)methyl][2-(Methylamino)-2-Oxoethyl]amino}-2-Oxoethyl)cyclohexyl]-5-Methyl-1h-1,2,3-Triazole-4-Carboxamide
CID 122391193

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride?
The IUPAC name of 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride (CID 53318491) is 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride is Cl.NC(=O)c1nnn2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.
What is the InChIKey of 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride?
The InChIKey is LKPYRTLKKCWUCC-SBSPUUFOSA-N. The full InChI is InChI=1S/C16H17F3N6O2.ClH/c17-10-6-12(19)11(18)4-8(10)3-9(20)5-14(26)24-1-2-25-13(7-24)15(16(21)27)22-23-25;/h4,6,9H,1-3,5,7,20H2,(H2,21,27);1H/t9-;/m1./s1.
What are the key properties of 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride?
5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride has a molecular weight of 418.81 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 53318491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).