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

C13H21N7O — CID 81006622

IUPAC7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCc1nc(NN)c(C)c(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C13H21N7O/c1-3-10-16-11(18-14)8(2)12(17-10)19-4-5-20-9(7-19)6-15-13(20)21/h9H,3-7,14H2,1-2H3,(H,15,21)(H,16,17,18)
InChIKeyWLKNDWNFCCQTLT-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.15
Rot. Bonds3

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

7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 81006622) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID81006622
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCCc1nc(NN)c(C)c(N2CCN3C(=O)NCC3C2)n1
InChIInChI=1S/C13H21N7O/c1-3-10-16-11(18-14)8(2)12(17-10)19-4-5-20-9(7-19)6-15-13(20)21/h9H,3-7,14H2,1-2H3,(H,15,21)(H,16,17,18)
InChIKeyWLKNDWNFCCQTLT-UHFFFAOYSA-N
XLogP-0.15
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.15
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

1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1-methylpiperazin-2-one
CID 81006102
7-(2-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80922945
[6-(2,6-dimethylthiomorpholin-4-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81007728
[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 113336423
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 81006239
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198717
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862885
7-(3-amino-5-methyl-2-pyridinyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091952
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,3,3-trimethylpiperazin-2-one
CID 81007063
[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81006440
7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 81006622) is 7-(2-ethyl-6-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-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CCc1nc(NN)c(C)c(N2CCN3C(=O)NCC3C2)n1.
What is the InChIKey of 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is WLKNDWNFCCQTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-3-10-16-11(18-14)8(2)12(17-10)19-4-5-20-9(7-19)6-15-13(20)21/h9H,3-7,14H2,1-2H3,(H,15,21)(H,16,17,18).
What are the key properties of 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 291.36 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 81006622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).