7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H17N7O — CID 103061081

IUPAC7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNNc1cnc(CN2CCN3C(=O)NCC3C2)cn1
InChIInChI=1S/C11H17N7O/c12-16-10-5-13-8(3-14-10)6-17-1-2-18-9(7-17)4-15-11(18)19/h3,5,9H,1-2,4,6-7,12H2,(H,14,16)(H,15,19)
InChIKeyOXSMQDCWMDOPMH-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.03
Rot. Bonds3

About 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 103061081) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID103061081
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNNc1cnc(CN2CCN3C(=O)NCC3C2)cn1
InChIInChI=1S/C11H17N7O/c12-16-10-5-13-8(3-14-10)6-17-1-2-18-9(7-17)4-15-11(18)19/h3,5,9H,1-2,4,6-7,12H2,(H,14,16)(H,15,19)
InChIKeyOXSMQDCWMDOPMH-UHFFFAOYSA-N
XLogP-1.03
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.03
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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Related Compounds

7-[[5-(methylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056618
7-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056617
7-[(5-hydroxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82983264
4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one
CID 103060800
7-[(6-amino-3-chloro-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094056
7-[(5-hydrazinylthiadiazol-4-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095395
3-[(5-hydrazinylpyrazin-2-yl)methyl]imidazolidine-2,4-dione
CID 103061297
[5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061203
(8aS)-7-[(6-methoxy-3-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75537041
7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115487083
[5-[(3-tert-butylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061199
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103056765

Frequently Asked Questions

What is the IUPAC name of 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 103061081) is 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NNc1cnc(CN2CCN3C(=O)NCC3C2)cn1.
What is the InChIKey of 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is OXSMQDCWMDOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c12-16-10-5-13-8(3-14-10)6-17-1-2-18-9(7-17)4-15-11(18)19/h3,5,9H,1-2,4,6-7,12H2,(H,14,16)(H,15,19).
What are the key properties of 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 263.30 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-hydrazinylpyrazin-2-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 103061081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).