6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide

C8H12N4O — CID 69401963

IUPAC6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2CCNCC2=N1
InChIInChI=1S/C8H12N4O/c9-8(13)6-1-3-12-4-2-10-5-7(12)11-6/h1,10H,2-5H2,(H2,9,13)
InChIKeyMDXCEQXYTCBZQP-UHFFFAOYSA-N
MW180.21 g/mol
LogP-1.33
Rot. Bonds1

About 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide

6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 69401963) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID69401963
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESNC(=O)C1=CCN2CCNCC2=N1
InChIInChI=1S/C8H12N4O/c9-8(13)6-1-3-12-4-2-10-5-7(12)11-6/h1,10H,2-5H2,(H2,9,13)
InChIKeyMDXCEQXYTCBZQP-UHFFFAOYSA-N
XLogP-1.33
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide (CID 69401963) is 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide is NC(=O)C1=CCN2CCNCC2=N1.
What is the InChIKey of 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MDXCEQXYTCBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8(13)6-1-3-12-4-2-10-5-7(12)11-6/h1,10H,2-5H2,(H2,9,13).
What are the key properties of 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide?
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 69401963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).