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

C9H16N4O — CID 103436807

IUPAC2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(Nc2nnc(N)o2)CCCCC1
InChIInChI=1S/C9H16N4O/c1-9(5-3-2-4-6-9)11-8-13-12-7(10)14-8/h2-6H2,1H3,(H2,10,12)(H,11,13)
InChIKeyVZPXVSOCMFLZSH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.79
Rot. Bonds2

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

2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436807) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436807
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(Nc2nnc(N)o2)CCCCC1
InChIInChI=1S/C9H16N4O/c1-9(5-3-2-4-6-9)11-8-13-12-7(10)14-8/h2-6H2,1H3,(H2,10,12)(H,11,13)
InChIKeyVZPXVSOCMFLZSH-UHFFFAOYSA-N
XLogP1.79
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436807) is 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine is CC1(Nc2nnc(N)o2)CCCCC1.
What is the InChIKey of 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is VZPXVSOCMFLZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(5-3-2-4-6-9)11-8-13-12-7(10)14-8/h2-6H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylcyclohexyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).