2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine

C10H15N7O — CID 166393831

IUPAC2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine
SMILESNc1nnn(Cc2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C10H15N7O/c11-10-13-16-17(14-10)6-8-12-9(15-18-8)7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)
InChIKeyCUNKAQDCYCZHKX-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.73
Rot. Bonds3

About 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine

2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine (PubChem CID 166393831) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine
PubChem CID166393831
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine
SMILESNc1nnn(Cc2nc(C3CCCCC3)no2)n1
InChIInChI=1S/C10H15N7O/c11-10-13-16-17(14-10)6-8-12-9(15-18-8)7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)
InChIKeyCUNKAQDCYCZHKX-UHFFFAOYSA-N
XLogP0.73
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine?
The IUPAC name of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine (CID 166393831) is 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine is Nc1nnn(Cc2nc(C3CCCCC3)no2)n1.
What is the InChIKey of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine?
The InChIKey is CUNKAQDCYCZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c11-10-13-16-17(14-10)6-8-12-9(15-18-8)7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14).
What are the key properties of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine?
2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine has a molecular weight of 249.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 166393831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).