2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine

C7H14N4O — CID 103436545

IUPAC2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)Nc1nnc(N)o1
InChIInChI=1S/C7H14N4O/c1-3-5(4-2)9-7-11-10-6(8)12-7/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyUDTOUNHRSHJZQJ-UHFFFAOYSA-N
MW170.22 g/mol
LogP1.25
Rot. Bonds4

About 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine

2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436545) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436545
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(CC)Nc1nnc(N)o1
InChIInChI=1S/C7H14N4O/c1-3-5(4-2)9-7-11-10-6(8)12-7/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyUDTOUNHRSHJZQJ-UHFFFAOYSA-N
XLogP1.25
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine (CID 103436545) is 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine is CCC(CC)Nc1nnc(N)o1.
What is the InChIKey of 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is UDTOUNHRSHJZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-5(4-2)9-7-11-10-6(8)12-7/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine?
2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 170.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentan-3-yl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).