2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C14H23N5O — CID 103061142

IUPAC2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESNNc1cnc(CN2CCC3(O)CCCCC3C2)cn1
InChIInChI=1S/C14H23N5O/c15-18-13-8-16-12(7-17-13)10-19-6-5-14(20)4-2-1-3-11(14)9-19/h7-8,11,20H,1-6,9-10,15H2,(H,17,18)
InChIKeyOJNBERBYNIZSCM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.89
Rot. Bonds3

About 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 103061142) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID103061142
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESNNc1cnc(CN2CCC3(O)CCCCC3C2)cn1
InChIInChI=1S/C14H23N5O/c15-18-13-8-16-12(7-17-13)10-19-6-5-14(20)4-2-1-3-11(14)9-19/h7-8,11,20H,1-6,9-10,15H2,(H,17,18)
InChIKeyOJNBERBYNIZSCM-UHFFFAOYSA-N
XLogP0.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 103061142) is 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is NNc1cnc(CN2CCC3(O)CCCCC3C2)cn1.
What is the InChIKey of 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is OJNBERBYNIZSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c15-18-13-8-16-12(7-17-13)10-19-6-5-14(20)4-2-1-3-11(14)9-19/h7-8,11,20H,1-6,9-10,15H2,(H,17,18).
What are the key properties of 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 277.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinylpyrazin-2-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 103061142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).