1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride

C13H17ClN4O — CID 75526673

IUPAC1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3ccncc3)no2)CCCCC1
InChIInChI=1S/C13H16N4O.ClH/c14-13(6-2-1-3-7-13)12-16-11(17-18-12)10-4-8-15-9-5-10;/h4-5,8-9H,1-3,6-7,14H2;1H
InChIKeyUMKBUGCLVDJNMI-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride

1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride (PubChem CID 75526673) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
PubChem CID75526673
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3ccncc3)no2)CCCCC1
InChIInChI=1S/C13H16N4O.ClH/c14-13(6-2-1-3-7-13)12-16-11(17-18-12)10-4-8-15-9-5-10;/h4-5,8-9H,1-3,6-7,14H2;1H
InChIKeyUMKBUGCLVDJNMI-UHFFFAOYSA-N
XLogP2.67
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride (CID 75526673) is 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride is Cl.NC1(c2nc(-c3ccncc3)no2)CCCCC1.
What is the InChIKey of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
The InChIKey is UMKBUGCLVDJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c14-13(6-2-1-3-7-13)12-16-11(17-18-12)10-4-8-15-9-5-10;/h4-5,8-9H,1-3,6-7,14H2;1H.
What are the key properties of 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride?
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 75526673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).