methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate

C10H14ClN3O2 — CID 125474672

IUPACmethyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate
SMILESCCN(CC)c1cnc(C(=O)OC)c(Cl)n1
InChIInChI=1S/C10H14ClN3O2/c1-4-14(5-2)7-6-12-8(9(11)13-7)10(15)16-3/h6H,4-5H2,1-3H3
InChIKeyVPZYGXRFQDPLHN-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.76
Rot. Bonds4

About methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate

methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate (PubChem CID 125474672) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate
PubChem CID125474672
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Namemethyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate
SMILESCCN(CC)c1cnc(C(=O)OC)c(Cl)n1
InChIInChI=1S/C10H14ClN3O2/c1-4-14(5-2)7-6-12-8(9(11)13-7)10(15)16-3/h6H,4-5H2,1-3H3
InChIKeyVPZYGXRFQDPLHN-UHFFFAOYSA-N
XLogP1.76
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate (CID 125474672) is methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate is CCN(CC)c1cnc(C(=O)OC)c(Cl)n1.
What is the InChIKey of methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate?
The InChIKey is VPZYGXRFQDPLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-4-14(5-2)7-6-12-8(9(11)13-7)10(15)16-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate?
methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate has a molecular weight of 243.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(diethylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 125474672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).