3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol

C12H14N4O2 — CID 103847712

IUPAC3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNc2ccc3nccnc3n2)CCOC1
InChIInChI=1S/C12H14N4O2/c17-12(3-6-18-8-12)7-15-10-2-1-9-11(16-10)14-5-4-13-9/h1-2,4-5,17H,3,6-8H2,(H,14,15,16)
InChIKeyCLUYXSZMYXLGMW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds3

About 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol

3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol (PubChem CID 103847712) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
PubChem CID103847712
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol
SMILESOC1(CNc2ccc3nccnc3n2)CCOC1
InChIInChI=1S/C12H14N4O2/c17-12(3-6-18-8-12)7-15-10-2-1-9-11(16-10)14-5-4-13-9/h1-2,4-5,17H,3,6-8H2,(H,14,15,16)
InChIKeyCLUYXSZMYXLGMW-UHFFFAOYSA-N
XLogP0.59
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol (CID 103847712) is 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol is OC1(CNc2ccc3nccnc3n2)CCOC1.
What is the InChIKey of 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol?
The InChIKey is CLUYXSZMYXLGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(3-6-18-8-12)7-15-10-2-1-9-11(16-10)14-5-4-13-9/h1-2,4-5,17H,3,6-8H2,(H,14,15,16).
What are the key properties of 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol?
3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol has a molecular weight of 246.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 103847712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).