3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide

C7H10ClN5O — CID 130008687

IUPAC3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1nc(N)c(C(N)=O)nc1Cl
InChIInChI=1S/C7H10ClN5O/c1-2-11-7-4(8)12-3(6(10)14)5(9)13-7/h2H2,1H3,(H2,10,14)(H3,9,11,13)
InChIKeyZNOOBQCDQNIJOJ-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.24
Rot. Bonds3

About 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide

3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide (PubChem CID 130008687) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
PubChem CID130008687
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
SMILESCCNc1nc(N)c(C(N)=O)nc1Cl
InChIInChI=1S/C7H10ClN5O/c1-2-11-7-4(8)12-3(6(10)14)5(9)13-7/h2H2,1H3,(H2,10,14)(H3,9,11,13)
InChIKeyZNOOBQCDQNIJOJ-UHFFFAOYSA-N
XLogP0.24
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide (CID 130008687) is 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide is CCNc1nc(N)c(C(N)=O)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide?
The InChIKey is ZNOOBQCDQNIJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O/c1-2-11-7-4(8)12-3(6(10)14)5(9)13-7/h2H2,1H3,(H2,10,14)(H3,9,11,13).
What are the key properties of 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide?
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide has a molecular weight of 215.64 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 130008687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).