N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine

C6H12N4O — CID 106392709

IUPACN'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine
SMILESNCCCNCc1ncon1
InChIInChI=1S/C6H12N4O/c7-2-1-3-8-4-6-9-5-11-10-6/h5,8H,1-4,7H2
InChIKeyFHYCTFWZSKFIEM-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.49
Rot. Bonds5

About N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine

N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine (PubChem CID 106392709) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine
PubChem CID106392709
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine
SMILESNCCCNCc1ncon1
InChIInChI=1S/C6H12N4O/c7-2-1-3-8-4-6-9-5-11-10-6/h5,8H,1-4,7H2
InChIKeyFHYCTFWZSKFIEM-UHFFFAOYSA-N
XLogP-0.49
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine (CID 106392709) is N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine is NCCCNCc1ncon1.
What is the InChIKey of N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine?
The InChIKey is FHYCTFWZSKFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c7-2-1-3-8-4-6-9-5-11-10-6/h5,8H,1-4,7H2.
What are the key properties of N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine?
N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine has a molecular weight of 156.19 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,4-oxadiazol-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 106392709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).