3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine

C8H13N5O — CID 914675

IUPAC3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine
SMILESNc1nonc1NN=C1CCCCC1
InChIInChI=1S/C8H13N5O/c9-7-8(13-14-12-7)11-10-6-4-2-1-3-5-6/h1-5H2,(H2,9,12)(H,11,13)
InChIKeyVFYWLVNRQKDHHQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.38
Rot. Bonds2

About 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine

3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine (PubChem CID 914675) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine
PubChem CID914675
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine
SMILESNc1nonc1NN=C1CCCCC1
InChIInChI=1S/C8H13N5O/c9-7-8(13-14-12-7)11-10-6-4-2-1-3-5-6/h1-5H2,(H2,9,12)(H,11,13)
InChIKeyVFYWLVNRQKDHHQ-UHFFFAOYSA-N
XLogP1.38
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine?
The IUPAC name of 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine (CID 914675) is 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine.
What is the SMILES notation for 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine?
The canonical SMILES for 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine is Nc1nonc1NN=C1CCCCC1.
What is the InChIKey of 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine?
The InChIKey is VFYWLVNRQKDHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-7-8(13-14-12-7)11-10-6-4-2-1-3-5-6/h1-5H2,(H2,9,12)(H,11,13).
What are the key properties of 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine?
3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine has a molecular weight of 195.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylideneamino)-1,2,5-oxadiazole-3,4-diamine is sourced from PubChem (CID 914675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).