2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C10H20N4O — CID 103436899

IUPAC2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nnc(N)o1
InChIInChI=1S/C10H20N4O/c1-9(2,3)6-10(4,5)12-8-14-13-7(11)15-8/h6H2,1-5H3,(H2,11,13)(H,12,14)
InChIKeyIEQJPWWGJWGZMG-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.28
Rot. Bonds3

About 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436899) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436899
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nnc(N)o1
InChIInChI=1S/C10H20N4O/c1-9(2,3)6-10(4,5)12-8-14-13-7(11)15-8/h6H2,1-5H3,(H2,11,13)(H,12,14)
InChIKeyIEQJPWWGJWGZMG-UHFFFAOYSA-N
XLogP2.28
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103436899) is 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CC(C)(C)CC(C)(C)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is IEQJPWWGJWGZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9(2,3)6-10(4,5)12-8-14-13-7(11)15-8/h6H2,1-5H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 212.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).