4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride

C8H14ClN3O — CID 71755753

IUPAC4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2ncno2)CC1
InChIInChI=1S/C8H13N3O.ClH/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h5-7H,1-4,9H2;1H
InChIKeyZTWZLUUTZCTIBV-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.48
Rot. Bonds1

About 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride

4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 71755753) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
PubChem CID71755753
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(c2ncno2)CC1
InChIInChI=1S/C8H13N3O.ClH/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h5-7H,1-4,9H2;1H
InChIKeyZTWZLUUTZCTIBV-UHFFFAOYSA-N
XLogP1.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride (CID 71755753) is 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(c2ncno2)CC1.
What is the InChIKey of 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is ZTWZLUUTZCTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c9-7-3-1-6(2-4-7)8-10-5-11-12-8;/h5-7H,1-4,9H2;1H.
What are the key properties of 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 71755753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).