1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol

C13H16N4O — CID 78955223

IUPAC1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNc2ccc3nccnc3n2)CCCC1
InChIInChI=1S/C13H16N4O/c18-13(5-1-2-6-13)9-16-11-4-3-10-12(17-11)15-8-7-14-10/h3-4,7-8,18H,1-2,5-6,9H2,(H,15,16,17)
InChIKeyJBTZYIZPJBVFMB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.74
Rot. Bonds3

About 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol

1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol (PubChem CID 78955223) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol
PubChem CID78955223
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNc2ccc3nccnc3n2)CCCC1
InChIInChI=1S/C13H16N4O/c18-13(5-1-2-6-13)9-16-11-4-3-10-12(17-11)15-8-7-14-10/h3-4,7-8,18H,1-2,5-6,9H2,(H,15,16,17)
InChIKeyJBTZYIZPJBVFMB-UHFFFAOYSA-N
XLogP1.74
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol (CID 78955223) is 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol is OC1(CNc2ccc3nccnc3n2)CCCC1.
What is the InChIKey of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is JBTZYIZPJBVFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(5-1-2-6-13)9-16-11-4-3-10-12(17-11)15-8-7-14-10/h3-4,7-8,18H,1-2,5-6,9H2,(H,15,16,17).
What are the key properties of 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol?
1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 244.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 78955223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).