N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine

C7H12N4O — CID 83827051

IUPACN'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1nc(C2CC2)no1
InChIInChI=1S/C7H12N4O/c8-3-4-9-7-10-6(11-12-7)5-1-2-5/h5H,1-4,8H2,(H,9,10,11)
InChIKeyLSDDSDNNIRUYMG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.32
Rot. Bonds4

About N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine

N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine (PubChem CID 83827051) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
PubChem CID83827051
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1nc(C2CC2)no1
InChIInChI=1S/C7H12N4O/c8-3-4-9-7-10-6(11-12-7)5-1-2-5/h5H,1-4,8H2,(H,9,10,11)
InChIKeyLSDDSDNNIRUYMG-UHFFFAOYSA-N
XLogP0.32
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine (CID 83827051) is N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine is NCCNc1nc(C2CC2)no1.
What is the InChIKey of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is LSDDSDNNIRUYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-3-4-9-7-10-6(11-12-7)5-1-2-5/h5H,1-4,8H2,(H,9,10,11).
What are the key properties of N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine?
N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 168.20 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 83827051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).