5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one

C9H8N4O — CID 172593581

IUPAC5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one
SMILESNc1cncc(-c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C9H8N4O/c10-7-1-6(2-11-3-7)8-4-13-9(14)5-12-8/h1-5H,10H2,(H,13,14)
InChIKeyJHMSCNBQRPLTJX-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.41
Rot. Bonds1

About 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one

5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one (PubChem CID 172593581) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one
PubChem CID172593581
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one
SMILESNc1cncc(-c2c[nH]c(=O)cn2)c1
InChIInChI=1S/C9H8N4O/c10-7-1-6(2-11-3-7)8-4-13-9(14)5-12-8/h1-5H,10H2,(H,13,14)
InChIKeyJHMSCNBQRPLTJX-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one (CID 172593581) is 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one is Nc1cncc(-c2c[nH]c(=O)cn2)c1.
What is the InChIKey of 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one?
The InChIKey is JHMSCNBQRPLTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-7-1-6(2-11-3-7)8-4-13-9(14)5-12-8/h1-5H,10H2,(H,13,14).
What are the key properties of 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one?
5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one has a molecular weight of 188.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-pyridinyl)-1H-pyrazin-2-one is sourced from PubChem (CID 172593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).