2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide

C8H14N8O3 — CID 78266829

IUPAC2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide
SMILESCN1C(=O)NC(=O)C2C1N=C(NN)N2CC(=O)NN
InChIInChI=1S/C8H14N8O3/c1-15-5-4(6(18)12-8(15)19)16(2-3(17)13-9)7(11-5)14-10/h4-5H,2,9-10H2,1H3,(H,11,14)(H,13,17)(H,12,18,19)
InChIKeyRLZCFDKKWOLWPW-UHFFFAOYSA-N
MW270.25 g/mol
LogP-4.01
Rot. Bonds2

About 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide

2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide (PubChem CID 78266829) has the molecular formula C8H14N8O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide.

Molecular Properties

Compound Name2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide
PubChem CID78266829
Molecular FormulaC8H14N8O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide
SMILESCN1C(=O)NC(=O)C2C1N=C(NN)N2CC(=O)NN
InChIInChI=1S/C8H14N8O3/c1-15-5-4(6(18)12-8(15)19)16(2-3(17)13-9)7(11-5)14-10/h4-5H,2,9-10H2,1H3,(H,11,14)(H,13,17)(H,12,18,19)
InChIKeyRLZCFDKKWOLWPW-UHFFFAOYSA-N
XLogP-4.01
TPSA158.18 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-4.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78302943
8-(cyclohexylamino)-3-methyl-7-phenacyl-4,5-dihydropurine-2,6-dione
CID 73281636
8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78205157
8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylprop-2-enyl)-4,5-dihydropurine-2,6-dione
CID 156590962
2-(4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl)acetohydrazide
CID 164889580
2-[2-(8-bromo-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)ethylsulfanyl]-N-phenylacetamide
CID 78335060
3-methyl-7-(2-methylprop-2-enyl)-8-(3-oxobutan-2-ylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78343046
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009
8-ethylsulfanyl-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302970
3-[(3-methyl-2,6-dioxo-7-propyl-4,5-dihydropurin-8-yl)sulfanyl]propanoic acid
CID 78206844
N-methyl-2-[(3-methyl-2,6-dioxo-7-propan-2-yl-4,5-dihydropurin-8-yl)sulfanyl]acetamide
CID 74526096
3-methyl-7-nonyl-8-(2-oxopropylsulfanyl)-4,5-dihydropurine-2,6-dione
CID 78303578

Frequently Asked Questions

What is the IUPAC name of 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide?
The IUPAC name of 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide (CID 78266829) is 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide.
What is the SMILES notation for 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide?
The canonical SMILES for 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide is CN1C(=O)NC(=O)C2C1N=C(NN)N2CC(=O)NN.
What is the InChIKey of 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide?
The InChIKey is RLZCFDKKWOLWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8O3/c1-15-5-4(6(18)12-8(15)19)16(2-3(17)13-9)7(11-5)14-10/h4-5H,2,9-10H2,1H3,(H,11,14)(H,13,17)(H,12,18,19).
What are the key properties of 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide?
2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide has a molecular weight of 270.25 g/mol, XLogP of -4.01, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide is sourced from PubChem (CID 78266829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).