2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

C7H15N5O — CID 140873535

IUPAC2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
SMILESNC(=O)N1NCCN2CCNCC21
InChIInChI=1S/C7H15N5O/c8-7(13)12-6-5-9-1-3-11(6)4-2-10-12/h6,9-10H,1-5H2,(H2,8,13)
InChIKeyDOWPONHLQIUJCP-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.88
Rot. Bonds

About 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide

2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide (PubChem CID 140873535) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide.

Molecular Properties

Compound Name2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
PubChem CID140873535
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC Name2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
SMILESNC(=O)N1NCCN2CCNCC21
InChIInChI=1S/C7H15N5O/c8-7(13)12-6-5-9-1-3-11(6)4-2-10-12/h6,9-10H,1-5H2,(H2,8,13)
InChIKeyDOWPONHLQIUJCP-UHFFFAOYSA-N
XLogP-1.88
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide with MolForge

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Related Compounds

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3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyrazine-2-carboxamide
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1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530
aziridine;aziridine-1-carboxamide
CID 157196797
1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyrazine
CID 22562213
(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
The IUPAC name of 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide (CID 140873535) is 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide.
What is the SMILES notation for 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
The canonical SMILES for 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide is NC(=O)N1NCCN2CCNCC21.
What is the InChIKey of 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
The InChIKey is DOWPONHLQIUJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c8-7(13)12-6-5-9-1-3-11(6)4-2-10-12/h6,9-10H,1-5H2,(H2,8,13).
What are the key properties of 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide?
2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide has a molecular weight of 185.23 g/mol, XLogP of -1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide is sourced from PubChem (CID 140873535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).