(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene

C14H16N4O — CID 176990310

IUPAC(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
SMILESNC[C@H]1Nc2ncccc2NC1=O.c1ccccc1
InChIInChI=1S/C8H10N4O.C6H6/c9-4-6-8(13)12-5-2-1-3-10-7(5)11-6;1-2-4-6-5-3-1/h1-3,6H,4,9H2,(H,10,11)(H,12,13);1-6H/t6-;/m1./s1
InChIKeyXHYBCCZZWMCFMJ-FYZOBXCZSA-N
MW256.31 g/mol
LogP1.46
Rot. Bonds1

About (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene

(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene (PubChem CID 176990310) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
PubChem CID176990310
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
SMILESNC[C@H]1Nc2ncccc2NC1=O.c1ccccc1
InChIInChI=1S/C8H10N4O.C6H6/c9-4-6-8(13)12-5-2-1-3-10-7(5)11-6;1-2-4-6-5-3-1/h1-3,6H,4,9H2,(H,10,11)(H,12,13);1-6H/t6-;/m1./s1
InChIKeyXHYBCCZZWMCFMJ-FYZOBXCZSA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene?
The IUPAC name of (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene (CID 176990310) is (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene.
What is the SMILES notation for (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene?
The canonical SMILES for (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene is NC[C@H]1Nc2ncccc2NC1=O.c1ccccc1.
What is the InChIKey of (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene?
The InChIKey is XHYBCCZZWMCFMJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10N4O.C6H6/c9-4-6-8(13)12-5-2-1-3-10-7(5)11-6;1-2-4-6-5-3-1/h1-3,6H,4,9H2,(H,10,11)(H,12,13);1-6H/t6-;/m1./s1.
What are the key properties of (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene?
(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene has a molecular weight of 256.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene is sourced from PubChem (CID 176990310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).