4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one

C15H13ClF3N7O — CID 1474307

IUPAC4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one
SMILESNNc1nc2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O
InChIInChI=1S/C15H13ClF3N7O/c16-9-6-8(15(17,18)19)7-23-11(9)21-4-5-26-13-10(2-1-3-22-13)24-12(25-20)14(26)27/h1-3,6-7H,4-5,20H2,(H,21,23)(H,24,25)
InChIKeyDZJGTLTVRVGJIX-UHFFFAOYSA-N
MW399.76 g/mol
LogP2.26
Rot. Bonds5

About 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one

4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one (PubChem CID 1474307) has the molecular formula C15H13ClF3N7O and a molecular weight of 399.76 g/mol. Its IUPAC name is 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one
PubChem CID1474307
Molecular FormulaC15H13ClF3N7O
Molecular Weight399.76 g/mol
Exact Mass399.08
IUPAC Name4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one
SMILESNNc1nc2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O
InChIInChI=1S/C15H13ClF3N7O/c16-9-6-8(15(17,18)19)7-23-11(9)21-4-5-26-13-10(2-1-3-22-13)24-12(25-20)14(26)27/h1-3,6-7H,4-5,20H2,(H,21,23)(H,24,25)
InChIKeyDZJGTLTVRVGJIX-UHFFFAOYSA-N
XLogP2.26
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one (CID 1474307) is 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one is NNc1nc2cccnc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O.
What is the InChIKey of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is DZJGTLTVRVGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N7O/c16-9-6-8(15(17,18)19)7-23-11(9)21-4-5-26-13-10(2-1-3-22-13)24-12(25-20)14(26)27/h1-3,6-7H,4-5,20H2,(H,21,23)(H,24,25).
What are the key properties of 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one?
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 399.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-hydrazinylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 1474307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).