[2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol

C17H17N5O — CID 126475198

IUPAC[2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol
SMILESNc1ncc(-c2ccccc2CO)nc1NCc1cccnc1
InChIInChI=1S/C17H17N5O/c18-16-17(21-9-12-4-3-7-19-8-12)22-15(10-20-16)14-6-2-1-5-13(14)11-23/h1-8,10,23H,9,11H2,(H2,18,20)(H,21,22)
InChIKeyVJTBIKAUOZFZSV-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.23
Rot. Bonds5

About [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol

[2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol (PubChem CID 126475198) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol
PubChem CID126475198
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name[2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol
SMILESNc1ncc(-c2ccccc2CO)nc1NCc1cccnc1
InChIInChI=1S/C17H17N5O/c18-16-17(21-9-12-4-3-7-19-8-12)22-15(10-20-16)14-6-2-1-5-13(14)11-23/h1-8,10,23H,9,11H2,(H2,18,20)(H,21,22)
InChIKeyVJTBIKAUOZFZSV-UHFFFAOYSA-N
XLogP2.23
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol (CID 126475198) is [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol is Nc1ncc(-c2ccccc2CO)nc1NCc1cccnc1.
What is the InChIKey of [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol?
The InChIKey is VJTBIKAUOZFZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-16-17(21-9-12-4-3-7-19-8-12)22-15(10-20-16)14-6-2-1-5-13(14)11-23/h1-8,10,23H,9,11H2,(H2,18,20)(H,21,22).
What are the key properties of [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol?
[2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol has a molecular weight of 307.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-amino-6-(pyridin-3-ylmethylamino)pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 126475198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).