cyclopropanecarbohydrazide;7H-purine

C9H12N6O — CID 175511307

IUPACcyclopropanecarbohydrazide;7H-purine
SMILESNNC(=O)C1CC1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C4H8N2O/c1-4-5(8-2-6-1)9-3-7-4;5-6-4(7)3-1-2-3/h1-3H,(H,6,7,8,9);3H,1-2,5H2,(H,6,7)
InChIKeyJXUPCEXHIVFSEN-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.26
Rot. Bonds1

About cyclopropanecarbohydrazide;7H-purine

cyclopropanecarbohydrazide;7H-purine (PubChem CID 175511307) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is cyclopropanecarbohydrazide;7H-purine.

Molecular Properties

Compound Namecyclopropanecarbohydrazide;7H-purine
PubChem CID175511307
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Namecyclopropanecarbohydrazide;7H-purine
SMILESNNC(=O)C1CC1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C5H4N4.C4H8N2O/c1-4-5(8-2-6-1)9-3-7-4;5-6-4(7)3-1-2-3/h1-3H,(H,6,7,8,9);3H,1-2,5H2,(H,6,7)
InChIKeyJXUPCEXHIVFSEN-UHFFFAOYSA-N
XLogP-0.26
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbohydrazide;7H-purine?
The IUPAC name of cyclopropanecarbohydrazide;7H-purine (CID 175511307) is cyclopropanecarbohydrazide;7H-purine.
What is the SMILES notation for cyclopropanecarbohydrazide;7H-purine?
The canonical SMILES for cyclopropanecarbohydrazide;7H-purine is NNC(=O)C1CC1.c1ncc2[nH]cnc2n1.
What is the InChIKey of cyclopropanecarbohydrazide;7H-purine?
The InChIKey is JXUPCEXHIVFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C4H8N2O/c1-4-5(8-2-6-1)9-3-7-4;5-6-4(7)3-1-2-3/h1-3H,(H,6,7,8,9);3H,1-2,5H2,(H,6,7).
What are the key properties of cyclopropanecarbohydrazide;7H-purine?
cyclopropanecarbohydrazide;7H-purine has a molecular weight of 220.24 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbohydrazide;7H-purine is sourced from PubChem (CID 175511307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).