4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

C16H13F3N4O — CID 87054563

IUPAC4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21
InChIInChI=1S/C16H13F3N4O/c1-23-13-9-20-6-5-12(13)22-14(15(23)24)21-8-10-3-2-4-11(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeySUNOBFRSSWNSSL-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one

4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054563) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
PubChem CID87054563
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21
InChIInChI=1S/C16H13F3N4O/c1-23-13-9-20-6-5-12(13)22-14(15(23)24)21-8-10-3-2-4-11(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeySUNOBFRSSWNSSL-UHFFFAOYSA-N
XLogP2.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one (CID 87054563) is 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(NCc2cccc(C(F)(F)F)c2)nc2ccncc21.
What is the InChIKey of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is SUNOBFRSSWNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-23-13-9-20-6-5-12(13)22-14(15(23)24)21-8-10-3-2-4-11(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,21,22).
What are the key properties of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one?
4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 334.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).