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

C6H12N4O — CID 106393664

IUPAC2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1ncon1
InChIInChI=1S/C6H12N4O/c1-5(2-7)8-3-6-9-4-11-10-6/h4-5,8H,2-3,7H2,1H3
InChIKeyUYGUTMQSBPIJRZ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.49
Rot. Bonds4

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

2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine (PubChem CID 106393664) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine
PubChem CID106393664
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine
SMILESCC(CN)NCc1ncon1
InChIInChI=1S/C6H12N4O/c1-5(2-7)8-3-6-9-4-11-10-6/h4-5,8H,2-3,7H2,1H3
InChIKeyUYGUTMQSBPIJRZ-UHFFFAOYSA-N
XLogP-0.49
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine (CID 106393664) is 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine is CC(CN)NCc1ncon1.
What is the InChIKey of 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine?
The InChIKey is UYGUTMQSBPIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-5(2-7)8-3-6-9-4-11-10-6/h4-5,8H,2-3,7H2,1H3.
What are the key properties of 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine?
2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine has a molecular weight of 156.19 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2,4-oxadiazol-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 106393664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).