cyclopropylmethyl 3-aminopyrazine-2-carboxylate

C9H11N3O2 — CID 63259879

IUPACcyclopropylmethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC1CC1
InChIInChI=1S/C9H11N3O2/c10-8-7(11-3-4-12-8)9(13)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,10,12)
InChIKeyBZHXJUMBPXUSFD-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.63
Rot. Bonds3

About cyclopropylmethyl 3-aminopyrazine-2-carboxylate

cyclopropylmethyl 3-aminopyrazine-2-carboxylate (PubChem CID 63259879) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is cyclopropylmethyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 3-aminopyrazine-2-carboxylate
PubChem CID63259879
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namecyclopropylmethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCC1CC1
InChIInChI=1S/C9H11N3O2/c10-8-7(11-3-4-12-8)9(13)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,10,12)
InChIKeyBZHXJUMBPXUSFD-UHFFFAOYSA-N
XLogP0.63
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of cyclopropylmethyl 3-aminopyrazine-2-carboxylate (CID 63259879) is cyclopropylmethyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for cyclopropylmethyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for cyclopropylmethyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 3-aminopyrazine-2-carboxylate?
The InChIKey is BZHXJUMBPXUSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8-7(11-3-4-12-8)9(13)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,10,12).
What are the key properties of cyclopropylmethyl 3-aminopyrazine-2-carboxylate?
cyclopropylmethyl 3-aminopyrazine-2-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 63259879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).