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

C7H12N4O — CID 103437311

IUPAC2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(Nc2nnc(N)o2)CCC1
InChIInChI=1S/C7H12N4O/c1-7(3-2-4-7)9-6-11-10-5(8)12-6/h2-4H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPABVFEBYUDWCIQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.01
Rot. Bonds2

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

2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437311) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437311
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(Nc2nnc(N)o2)CCC1
InChIInChI=1S/C7H12N4O/c1-7(3-2-4-7)9-6-11-10-5(8)12-6/h2-4H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPABVFEBYUDWCIQ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,4,4-trimethylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436899
2-N-(1-methylcyclopentyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437086
2-N-(3-ethylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437097
2-N-(1-methylcyclopropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437298
2-N-(2-methylpentan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437304
2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437308
2-N-(3-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437332
2-N-(2-cyclopropylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 105789683
2-N-(3-methylpentan-3-yl)-1,3,4-oxadiazole-2,5-diamine
CID 106332538
2-N-tert-butyl-1,3,4-oxadiazole-2,5-diamine
CID 121601831
2-N-(2-methylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 121601984
2-N-[1-(methoxymethyl)cyclobutyl]-1,3,4-oxadiazole-2,5-diamine
CID 130610286

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437311) is 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine is CC1(Nc2nnc(N)o2)CCC1.
What is the InChIKey of 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is PABVFEBYUDWCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(3-2-4-7)9-6-11-10-5(8)12-6/h2-4H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 168.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).