7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H17N7O — CID 80922945

IUPAC7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cnc(NN)nc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H17N7O/c1-7-4-13-10(16-12)15-9(7)17-2-3-18-8(6-17)5-14-11(18)19/h4,8H,2-3,5-6,12H2,1H3,(H,14,19)(H,13,15,16)
InChIKeyGJUGBPLDSOCPLX-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.72
Rot. Bonds2

About 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 80922945) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID80922945
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1cnc(NN)nc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C11H17N7O/c1-7-4-13-10(16-12)15-9(7)17-2-3-18-8(6-17)5-14-11(18)19/h4,8H,2-3,5-6,12H2,1H3,(H,14,19)(H,13,15,16)
InChIKeyGJUGBPLDSOCPLX-UHFFFAOYSA-N
XLogP-0.72
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.72
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-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091952
[5-methyl-4-(3-methylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80899468
7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 81006622
(8aS)-7-(3-fluoro-5-propan-2-yl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 176651071
7-(5-iodopyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095260
7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092401
6-methyl-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyridine-3-carbothioamide
CID 79095931
7-(5-amino-6-chloropyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091486
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673
7-[6-(aminomethyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115487083
7-(2-amino-6-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115550683
7-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80836471

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 80922945) is 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1cnc(NN)nc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is GJUGBPLDSOCPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-7-4-13-10(16-12)15-9(7)17-2-3-18-8(6-17)5-14-11(18)19/h4,8H,2-3,5-6,12H2,1H3,(H,14,19)(H,13,15,16).
What are the key properties of 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 263.30 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 80922945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).