4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol

C12H11N5O — CID 113245585

IUPAC4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
SMILESOc1ccc(CNc2nccn3cnnc23)cc1
InChIInChI=1S/C12H11N5O/c18-10-3-1-9(2-4-10)7-14-11-12-16-15-8-17(12)6-5-13-11/h1-6,8,18H,7H2,(H,13,14)
InChIKeyXLSRYHQLZUBWFD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.44
Rot. Bonds3

About 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol

4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol (PubChem CID 113245585) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
PubChem CID113245585
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol
SMILESOc1ccc(CNc2nccn3cnnc23)cc1
InChIInChI=1S/C12H11N5O/c18-10-3-1-9(2-4-10)7-14-11-12-16-15-8-17(12)6-5-13-11/h1-6,8,18H,7H2,(H,13,14)
InChIKeyXLSRYHQLZUBWFD-UHFFFAOYSA-N
XLogP1.44
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol?
The IUPAC name of 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol (CID 113245585) is 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol.
What is the SMILES notation for 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol?
The canonical SMILES for 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol is Oc1ccc(CNc2nccn3cnnc23)cc1.
What is the InChIKey of 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol?
The InChIKey is XLSRYHQLZUBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c18-10-3-1-9(2-4-10)7-14-11-12-16-15-8-17(12)6-5-13-11/h1-6,8,18H,7H2,(H,13,14).
What are the key properties of 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol?
4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol has a molecular weight of 241.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)methyl]phenol is sourced from PubChem (CID 113245585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).