(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one

C14H13N3O2 — CID 134147304

IUPAC(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C1Nc2ncccc2N[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C14H13N3O2/c18-10-5-3-9(4-6-10)8-12-14(19)17-13-11(16-12)2-1-7-15-13/h1-7,12,16,18H,8H2,(H,15,17,19)/t12-/m0/s1
InChIKeySJMMYHVLSFKQGP-LBPRGKRZSA-N
MW255.28 g/mol
LogP1.76
Rot. Bonds2

About (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one

(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 134147304) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
PubChem CID134147304
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
SMILESO=C1Nc2ncccc2N[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C14H13N3O2/c18-10-5-3-9(4-6-10)8-12-14(19)17-13-11(16-12)2-1-7-15-13/h1-7,12,16,18H,8H2,(H,15,17,19)/t12-/m0/s1
InChIKeySJMMYHVLSFKQGP-LBPRGKRZSA-N
XLogP1.76
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one (CID 134147304) is (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one is O=C1Nc2ncccc2N[C@H]1Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is SJMMYHVLSFKQGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-10-5-3-9(4-6-10)8-12-14(19)17-13-11(16-12)2-1-7-15-13/h1-7,12,16,18H,8H2,(H,15,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one?
(2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-hydroxyphenyl)methyl]-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 134147304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).