6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid

C19H20ClF3N4O2 — CID 131734003

IUPAC6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESClc1nc2c(nc1NC1CC1)CCN(Cc1ccccc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4.C2HF3O2/c18-16-17(19-13-6-7-13)21-14-8-9-22(11-15(14)20-16)10-12-4-2-1-3-5-12;3-2(4,5)1(6)7/h1-5,13H,6-11H2,(H,19,21);(H,6,7)
InChIKeyHJWZUIISAIKGNF-UHFFFAOYSA-N
MW428.84 g/mol
LogP3.90
Rot. Bonds4

About 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid

6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 131734003) has the molecular formula C19H20ClF3N4O2 and a molecular weight of 428.84 g/mol. Its IUPAC name is 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID131734003
Molecular FormulaC19H20ClF3N4O2
Molecular Weight428.84 g/mol
Exact Mass428.12
IUPAC Name6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
SMILESClc1nc2c(nc1NC1CC1)CCN(Cc1ccccc1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H19ClN4.C2HF3O2/c18-16-17(19-13-6-7-13)21-14-8-9-22(11-15(14)20-16)10-12-4-2-1-3-5-12;3-2(4,5)1(6)7/h1-5,13H,6-11H2,(H,19,21);(H,6,7)
InChIKeyHJWZUIISAIKGNF-UHFFFAOYSA-N
XLogP3.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid (CID 131734003) is 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is Clc1nc2c(nc1NC1CC1)CCN(Cc1ccccc1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HJWZUIISAIKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4.C2HF3O2/c18-16-17(19-13-6-7-13)21-14-8-9-22(11-15(14)20-16)10-12-4-2-1-3-5-12;3-2(4,5)1(6)7/h1-5,13H,6-11H2,(H,19,21);(H,6,7).
What are the key properties of 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid?
6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 428.84 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-chloro-N-cyclopropyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131734003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).