7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione

C12H22N6O2 — CID 78302874

IUPAC7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCCCCCN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H22N6O2/c1-3-4-5-6-7-18-8-9(14-11(18)16-13)17(2)12(20)15-10(8)19/h8-9H,3-7,13H2,1-2H3,(H,14,16)(H,15,19,20)
InChIKeyZUDLGUBIZMCUHO-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.42
Rot. Bonds5

About 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione

7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 78302874) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID78302874
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCCCCCN1C(NN)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C12H22N6O2/c1-3-4-5-6-7-18-8-9(14-11(18)16-13)17(2)12(20)15-10(8)19/h8-9H,3-7,13H2,1-2H3,(H,14,16)(H,15,19,20)
InChIKeyZUDLGUBIZMCUHO-UHFFFAOYSA-N
XLogP-0.42
TPSA103.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1-Hexyl-3,7-dimethyl-1,3,4,5,7-pentahydropurine-2,6-dione
CID 3540737
8-amino-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione
CID 10467447
(4S,5S)-1-hexyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 28167203
(4S,5R)-1-hexyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 28167204
(4R,5S)-1-hexyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 28167205
(4R,5R)-1-hexyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 28167206
8-[(2Z)-2-butan-2-ylidenehydrazinyl]-7-hexadecyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 45045930
2-[8-(Dimethylamino)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 45053504
2-[4-(7-Hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
CID 73282258
2-(1,3-dimethyl-2,6-dioxo-8-piperidin-1-ium-1-ylidene-5H-purin-7-yl)acetohydrazide
CID 73327618

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione (CID 78302874) is 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione is CCCCCCN1C(NN)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is ZUDLGUBIZMCUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-4-5-6-7-18-8-9(14-11(18)16-13)17(2)12(20)15-10(8)19/h8-9H,3-7,13H2,1-2H3,(H,14,16)(H,15,19,20).
What are the key properties of 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione?
7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 282.35 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-8-hydrazinyl-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 78302874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).