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

C7H12N6O2 — CID 85204308

IUPAC8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(NN)N2C
InChIInChI=1S/C7H12N6O2/c1-12-3-4(9-6(12)11-8)13(2)7(15)10-5(3)14/h3-4H,8H2,1-2H3,(H,9,11)(H,10,14,15)
InChIKeyKQZUKMVYWBOJHY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.37
Rot. Bonds

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

8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione (PubChem CID 85204308) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
PubChem CID85204308
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)NC(=O)C2C1N=C(NN)N2C
InChIInChI=1S/C7H12N6O2/c1-12-3-4(9-6(12)11-8)13(2)7(15)10-5(3)14/h3-4H,8H2,1-2H3,(H,9,11)(H,10,14,15)
InChIKeyKQZUKMVYWBOJHY-UHFFFAOYSA-N
XLogP-2.37
TPSA103.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.37
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

2-(8-hydrazinyl-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetohydrazide
CID 78266829
8-amino-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78302943
8-(cyclohexylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 78205157
7-butyl-8-(dimethylamino)-3-methyl-4,5-dihydropurine-2,6-dione
CID 78303122
4-methyl-4a,7,8,9a-tetrahydropurino[8,7-b][1,3]thiazole-1,3-dione
CID 78199907
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009
3-methyl-8-[[3-methyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]sulfanyl]-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 78372999
8-butyl-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 75609018
7-[(4-chlorophenyl)methyl]-3-methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-4,5-dihydropurine-2,6-dione
CID 156589687
3-methyl-7-(3-phenylpropyl)-8-(2-propan-2-ylidenehydrazinyl)-4,5-dihydropurine-2,6-dione
CID 78333784
8-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)-4,5-dihydropurine-2,6-dione
CID 45043469
7-butyl-8-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3-methyl-4,5-dihydropurine-2,6-dione
CID 167997408

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione (CID 85204308) is 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione is CN1C(=O)NC(=O)C2C1N=C(NN)N2C.
What is the InChIKey of 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione?
The InChIKey is KQZUKMVYWBOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-12-3-4(9-6(12)11-8)13(2)7(15)10-5(3)14/h3-4H,8H2,1-2H3,(H,9,11)(H,10,14,15).
What are the key properties of 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione?
8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione has a molecular weight of 212.21 g/mol, XLogP of -2.37, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-3,7-dimethyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 85204308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).