4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol

C12H16N4O2 — CID 104731933

IUPAC4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol
SMILESOC1(CNc2nccn3nccc23)CCOCC1
InChIInChI=1S/C12H16N4O2/c17-12(2-7-18-8-3-12)9-14-11-10-1-4-15-16(10)6-5-13-11/h1,4-6,17H,2-3,7-9H2,(H,13,14)
InChIKeyODBNPJLFUHKXIV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.68
Rot. Bonds3

About 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol

4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol (PubChem CID 104731933) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol
PubChem CID104731933
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol
SMILESOC1(CNc2nccn3nccc23)CCOCC1
InChIInChI=1S/C12H16N4O2/c17-12(2-7-18-8-3-12)9-14-11-10-1-4-15-16(10)6-5-13-11/h1,4-6,17H,2-3,7-9H2,(H,13,14)
InChIKeyODBNPJLFUHKXIV-UHFFFAOYSA-N
XLogP0.68
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclopentan-1-ol
CID 113446380
N-[(1-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 103353997
3-[(4-hydroxyoxan-4-yl)methylamino]-1-methylpyrazin-2-one
CID 79026561
3-[(4-hydroxyoxan-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 81131338
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid
CID 104729597
N-methyl-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 104732428
N-(2-chloro-2-cyclopropylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733985
2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489669
2,3-dimethyl-3-(pyrazolo[1,5-a]pyrazin-4-ylamino)butan-2-ol
CID 106186000
N-(2,2-dimethylbutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 103462545
2-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 113446377
2,2-dimethyl-N'-pyrazolo[1,5-a]pyrazin-4-ylpropane-1,3-diamine
CID 104734329

Frequently Asked Questions

What is the IUPAC name of 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol (CID 104731933) is 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol is OC1(CNc2nccn3nccc23)CCOCC1.
What is the InChIKey of 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol?
The InChIKey is ODBNPJLFUHKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-12(2-7-18-8-3-12)9-14-11-10-1-4-15-16(10)6-5-13-11/h1,4-6,17H,2-3,7-9H2,(H,13,14).
What are the key properties of 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol?
4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol has a molecular weight of 248.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]oxan-4-ol is sourced from PubChem (CID 104731933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).