1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol

C16H16N4O3 — CID 137150331

IUPAC1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(-c2cnc3ccc(NO)nc3n2)cc1
InChIInChI=1S/C16H16N4O3/c1-10(21)9-23-12-4-2-11(3-5-12)14-8-17-13-6-7-15(20-22)19-16(13)18-14/h2-8,10,21-22H,9H2,1H3,(H,18,19,20)
InChIKeyVGODCANGWLEWAF-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol

1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol (PubChem CID 137150331) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol
PubChem CID137150331
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol
SMILESCC(O)COc1ccc(-c2cnc3ccc(NO)nc3n2)cc1
InChIInChI=1S/C16H16N4O3/c1-10(21)9-23-12-4-2-11(3-5-12)14-8-17-13-6-7-15(20-22)19-16(13)18-14/h2-8,10,21-22H,9H2,1H3,(H,18,19,20)
InChIKeyVGODCANGWLEWAF-UHFFFAOYSA-N
XLogP2.25
TPSA100.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] N,N-dimethylcarbamate
CID 16727156
(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
CID 70854683
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[2-[4-[6-(methylamino)-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxypropan-2-ol
CID 155783794
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
4-[6-[(3-methylphenyl)methylamino]pyrido[2,3-b]pyrazin-3-yl]phenol
CID 135693240
1-ethyl-3-[3-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrazol-4-yl]pyrido[2,3-b]pyrazin-6-yl]thiourea
CID 88993956
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 71294649
1-(1,3-benzothiazol-6-yloxy)propan-2-ol
CID 82189802
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
bis[4-(2-hydroxypropoxy)phenyl]-dimethylazanium;methane
CID 161004546

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol (CID 137150331) is 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol is CC(O)COc1ccc(-c2cnc3ccc(NO)nc3n2)cc1.
What is the InChIKey of 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol?
The InChIKey is VGODCANGWLEWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10(21)9-23-12-4-2-11(3-5-12)14-8-17-13-6-7-15(20-22)19-16(13)18-14/h2-8,10,21-22H,9H2,1H3,(H,18,19,20).
What are the key properties of 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol?
1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol has a molecular weight of 312.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(hydroxyamino)pyrido[2,3-b]pyrazin-3-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 137150331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).