2-N-propyl-1,3,4-oxadiazole-2,5-diamine

C5H10N4O — CID 55290531

IUPAC2-N-propyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCCNc1nnc(N)o1
InChIInChI=1S/C5H10N4O/c1-2-3-7-5-9-8-4(6)10-5/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyCFTJSFCDWRCHCI-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.47
Rot. Bonds3

About 2-N-propyl-1,3,4-oxadiazole-2,5-diamine

2-N-propyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 55290531) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-N-propyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-propyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID55290531
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2-N-propyl-1,3,4-oxadiazole-2,5-diamine
SMILESCCCNc1nnc(N)o1
InChIInChI=1S/C5H10N4O/c1-2-3-7-5-9-8-4(6)10-5/h2-3H2,1H3,(H2,6,8)(H,7,9)
InChIKeyCFTJSFCDWRCHCI-UHFFFAOYSA-N
XLogP0.47
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-propyl-1,3,4-oxadiazole-2,5-diamine (CID 55290531) is 2-N-propyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-propyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-propyl-1,3,4-oxadiazole-2,5-diamine is CCCNc1nnc(N)o1.
What is the InChIKey of 2-N-propyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is CFTJSFCDWRCHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-2-3-7-5-9-8-4(6)10-5/h2-3H2,1H3,(H2,6,8)(H,7,9).
What are the key properties of 2-N-propyl-1,3,4-oxadiazole-2,5-diamine?
2-N-propyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 142.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 55290531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).