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

C7H12N4O — CID 103437332

IUPAC2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1CC(Nc2nnc(N)o2)C1
InChIInChI=1S/C7H12N4O/c1-4-2-5(3-4)9-7-11-10-6(8)12-7/h4-5H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyNLDHTBHNSZLSEI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.86
Rot. Bonds2

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

2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437332) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437332
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1CC(Nc2nnc(N)o2)C1
InChIInChI=1S/C7H12N4O/c1-4-2-5(3-4)9-7-11-10-6(8)12-7/h4-5H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyNLDHTBHNSZLSEI-UHFFFAOYSA-N
XLogP0.86
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437332) is 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine is CC1CC(Nc2nnc(N)o2)C1.
What is the InChIKey of 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is NLDHTBHNSZLSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-2-5(3-4)9-7-11-10-6(8)12-7/h4-5H,2-3H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 168.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).