2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol

C15H17N5O — CID 80796932

IUPAC2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
SMILESNc1cn2ccnc2c(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C15H17N5O/c16-13-11-19-7-6-17-14(19)15(18-13)20(8-9-21)10-12-4-2-1-3-5-12/h1-7,11,21H,8-10,16H2
InChIKeyDLASUNNFMXPDSM-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.31
Rot. Bonds5

About 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol

2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol (PubChem CID 80796932) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
PubChem CID80796932
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
SMILESNc1cn2ccnc2c(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C15H17N5O/c16-13-11-19-7-6-17-14(19)15(18-13)20(8-9-21)10-12-4-2-1-3-5-12/h1-7,11,21H,8-10,16H2
InChIKeyDLASUNNFMXPDSM-UHFFFAOYSA-N
XLogP1.31
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol?
The IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol (CID 80796932) is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol.
What is the SMILES notation for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol?
The canonical SMILES for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol is Nc1cn2ccnc2c(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol?
The InChIKey is DLASUNNFMXPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-13-11-19-7-6-17-14(19)15(18-13)20(8-9-21)10-12-4-2-1-3-5-12/h1-7,11,21H,8-10,16H2.
What are the key properties of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol?
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol has a molecular weight of 283.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol is sourced from PubChem (CID 80796932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).