4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide

C8H15N3O — CID 167219485

IUPAC4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide
SMILESCC(C)N1C=CNC(C(N)=O)C1
InChIInChI=1S/C8H15N3O/c1-6(2)11-4-3-10-7(5-11)8(9)12/h3-4,6-7,10H,5H2,1-2H3,(H2,9,12)
InChIKeyYTTSCGWZOYEZJU-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.37
Rot. Bonds2

About 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide

4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide (PubChem CID 167219485) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide
PubChem CID167219485
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide
SMILESCC(C)N1C=CNC(C(N)=O)C1
InChIInChI=1S/C8H15N3O/c1-6(2)11-4-3-10-7(5-11)8(9)12/h3-4,6-7,10H,5H2,1-2H3,(H2,9,12)
InChIKeyYTTSCGWZOYEZJU-UHFFFAOYSA-N
XLogP-0.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide?
The IUPAC name of 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide (CID 167219485) is 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide is CC(C)N1C=CNC(C(N)=O)C1.
What is the InChIKey of 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide?
The InChIKey is YTTSCGWZOYEZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)11-4-3-10-7(5-11)8(9)12/h3-4,6-7,10H,5H2,1-2H3,(H2,9,12).
What are the key properties of 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide?
4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide has a molecular weight of 169.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3-dihydro-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 167219485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).