4H-pyrazino[1,2-a]pyrimidine-2-carboxamide

C8H8N4O — CID 91374127

IUPAC4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2C=CN=CC2=N1
InChIInChI=1S/C8H8N4O/c9-8(13)6-1-3-12-4-2-10-5-7(12)11-6/h1-2,4-5H,3H2,(H2,9,13)
InChIKeyDVFRIHRDGZCIGX-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.37
Rot. Bonds1

About 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide

4H-pyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 91374127) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID91374127
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2C=CN=CC2=N1
InChIInChI=1S/C8H8N4O/c9-8(13)6-1-3-12-4-2-10-5-7(12)11-6/h1-2,4-5H,3H2,(H2,9,13)
InChIKeyDVFRIHRDGZCIGX-UHFFFAOYSA-N
XLogP-0.37
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide (CID 91374127) is 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide is NC(=O)C1=CCN2C=CN=CC2=N1.
What is the InChIKey of 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is DVFRIHRDGZCIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8(13)6-1-3-12-4-2-10-5-7(12)11-6/h1-2,4-5H,3H2,(H2,9,13).
What are the key properties of 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
4H-pyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 176.18 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91374127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).