(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

C9H16ClN3O — CID 46736956

IUPAC(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C9H15N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h7H,1-6,10H2;1H
InChIKeyCVCUQGZIOLUFAE-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.00
Rot. Bonds2

About (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride

(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (PubChem CID 46736956) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
PubChem CID46736956
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(C2CCCCC2)no1
InChIInChI=1S/C9H15N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h7H,1-6,10H2;1H
InChIKeyCVCUQGZIOLUFAE-UHFFFAOYSA-N
XLogP2.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride (CID 46736956) is (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is Cl.NCc1nc(C2CCCCC2)no1.
What is the InChIKey of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is CVCUQGZIOLUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7;/h7H,1-6,10H2;1H.
What are the key properties of (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride?
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 46736956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).