4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine

C12H21N7 — CID 80929260

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(N2CCN3CCCCC3C2)nc(N)n1
InChIInChI=1S/C12H21N7/c13-12-15-10(17-14)7-11(16-12)19-6-5-18-4-2-1-3-9(18)8-19/h7,9H,1-6,8,14H2,(H3,13,15,16,17)
InChIKeyZGJKZUPIUICJKB-UHFFFAOYSA-N
MW263.35 g/mol
LogP0.02
Rot. Bonds2

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80929260) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
PubChem CID80929260
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(N2CCN3CCCCC3C2)nc(N)n1
InChIInChI=1S/C12H21N7/c13-12-15-10(17-14)7-11(16-12)19-6-5-18-4-2-1-3-9(18)8-19/h7,9H,1-6,8,14H2,(H3,13,15,16,17)
InChIKeyZGJKZUPIUICJKB-UHFFFAOYSA-N
XLogP0.02
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine (CID 80929260) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine is NNc1cc(N2CCN3CCCCC3C2)nc(N)n1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is ZGJKZUPIUICJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c13-12-15-10(17-14)7-11(16-12)19-6-5-18-4-2-1-3-9(18)8-19/h7,9H,1-6,8,14H2,(H3,13,15,16,17).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 263.35 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80929260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).