N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine

C6H9N3O — CID 102993675

IUPACN-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1ncno1
InChIInChI=1S/C6H9N3O/c1-2-3-7-4-6-8-5-9-10-6/h2,5,7H,1,3-4H2
InChIKeySRDIGTYVNVOHGP-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.35
Rot. Bonds4

About N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine

N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine (PubChem CID 102993675) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine
PubChem CID102993675
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCc1ncno1
InChIInChI=1S/C6H9N3O/c1-2-3-7-4-6-8-5-9-10-6/h2,5,7H,1,3-4H2
InChIKeySRDIGTYVNVOHGP-UHFFFAOYSA-N
XLogP0.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine (CID 102993675) is N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine is C=CCNCc1ncno1.
What is the InChIKey of N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine?
The InChIKey is SRDIGTYVNVOHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-3-7-4-6-8-5-9-10-6/h2,5,7H,1,3-4H2.
What are the key properties of N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine?
N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine has a molecular weight of 139.16 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-5-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 102993675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).