5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide

C13H18N6O — CID 106106377

IUPAC5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCc2ccn(C)n2)cn1
InChIInChI=1S/C13H18N6O/c1-3-14-12-9-16-11(8-17-12)13(20)15-6-4-10-5-7-19(2)18-10/h5,7-9H,3-4,6H2,1-2H3,(H,14,17)(H,15,20)
InChIKeyAEGZPMVXDXCXAD-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.61
Rot. Bonds6

About 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide

5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 106106377) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
PubChem CID106106377
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
SMILESCCNc1cnc(C(=O)NCCc2ccn(C)n2)cn1
InChIInChI=1S/C13H18N6O/c1-3-14-12-9-16-11(8-17-12)13(20)15-6-4-10-5-7-19(2)18-10/h5,7-9H,3-4,6H2,1-2H3,(H,14,17)(H,15,20)
InChIKeyAEGZPMVXDXCXAD-UHFFFAOYSA-N
XLogP0.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide (CID 106106377) is 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide is CCNc1cnc(C(=O)NCCc2ccn(C)n2)cn1.
What is the InChIKey of 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is AEGZPMVXDXCXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-14-12-9-16-11(8-17-12)13(20)15-6-4-10-5-7-19(2)18-10/h5,7-9H,3-4,6H2,1-2H3,(H,14,17)(H,15,20).
What are the key properties of 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide?
5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106106377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).