2-cyclopropylethyl 3-aminopyrazine-2-carboxylate

C10H13N3O2 — CID 103714850

IUPAC2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCCC1CC1
InChIInChI=1S/C10H13N3O2/c11-9-8(12-4-5-13-9)10(14)15-6-3-7-1-2-7/h4-5,7H,1-3,6H2,(H2,11,13)
InChIKeyCIVHHFCKTUUJSJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.02
Rot. Bonds4

About 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate

2-cyclopropylethyl 3-aminopyrazine-2-carboxylate (PubChem CID 103714850) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
PubChem CID103714850
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-cyclopropylethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCCC1CC1
InChIInChI=1S/C10H13N3O2/c11-9-8(12-4-5-13-9)10(14)15-6-3-7-1-2-7/h4-5,7H,1-3,6H2,(H2,11,13)
InChIKeyCIVHHFCKTUUJSJ-UHFFFAOYSA-N
XLogP1.02
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate (CID 103714850) is 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate?
The InChIKey is CIVHHFCKTUUJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9-8(12-4-5-13-9)10(14)15-6-3-7-1-2-7/h4-5,7H,1-3,6H2,(H2,11,13).
What are the key properties of 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate?
2-cyclopropylethyl 3-aminopyrazine-2-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 103714850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).