(3-amino-5-chloropyrazin-2-yl)methyl formate

C6H6ClN3O2 — CID 174712769

IUPAC(3-amino-5-chloropyrazin-2-yl)methyl formate
SMILESNc1nc(Cl)cnc1COC=O
InChIInChI=1S/C6H6ClN3O2/c7-5-1-9-4(2-12-3-11)6(8)10-5/h1,3H,2H2,(H2,8,10)
InChIKeyDAUQZQGXQJNYSG-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.39
Rot. Bonds3

About (3-amino-5-chloropyrazin-2-yl)methyl formate

(3-amino-5-chloropyrazin-2-yl)methyl formate (PubChem CID 174712769) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is (3-amino-5-chloropyrazin-2-yl)methyl formate.

Molecular Properties

Compound Name(3-amino-5-chloropyrazin-2-yl)methyl formate
PubChem CID174712769
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name(3-amino-5-chloropyrazin-2-yl)methyl formate
SMILESNc1nc(Cl)cnc1COC=O
InChIInChI=1S/C6H6ClN3O2/c7-5-1-9-4(2-12-3-11)6(8)10-5/h1,3H,2H2,(H2,8,10)
InChIKeyDAUQZQGXQJNYSG-UHFFFAOYSA-N
XLogP0.39
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-chloropyrazin-2-yl)methyl formate?
The IUPAC name of (3-amino-5-chloropyrazin-2-yl)methyl formate (CID 174712769) is (3-amino-5-chloropyrazin-2-yl)methyl formate.
What is the SMILES notation for (3-amino-5-chloropyrazin-2-yl)methyl formate?
The canonical SMILES for (3-amino-5-chloropyrazin-2-yl)methyl formate is Nc1nc(Cl)cnc1COC=O.
What is the InChIKey of (3-amino-5-chloropyrazin-2-yl)methyl formate?
The InChIKey is DAUQZQGXQJNYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c7-5-1-9-4(2-12-3-11)6(8)10-5/h1,3H,2H2,(H2,8,10).
What are the key properties of (3-amino-5-chloropyrazin-2-yl)methyl formate?
(3-amino-5-chloropyrazin-2-yl)methyl formate has a molecular weight of 187.59 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-chloropyrazin-2-yl)methyl formate is sourced from PubChem (CID 174712769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).