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

C6H10N4O — CID 103437298

IUPAC2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(Nc2nnc(N)o2)CC1
InChIInChI=1S/C6H10N4O/c1-6(2-3-6)8-5-10-9-4(7)11-5/h2-3H2,1H3,(H2,7,9)(H,8,10)
InChIKeyJYZBZGZBSHAUPB-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.62
Rot. Bonds2

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

2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437298) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437298
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(Nc2nnc(N)o2)CC1
InChIInChI=1S/C6H10N4O/c1-6(2-3-6)8-5-10-9-4(7)11-5/h2-3H2,1H3,(H2,7,9)(H,8,10)
InChIKeyJYZBZGZBSHAUPB-UHFFFAOYSA-N
XLogP0.62
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437298) is 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine is CC1(Nc2nnc(N)o2)CC1.
What is the InChIKey of 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JYZBZGZBSHAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-6(2-3-6)8-5-10-9-4(7)11-5/h2-3H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 154.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).