1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride

C8H12ClN3O — CID 67390539

IUPAC1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CC3)n2)CC1
InChIInChI=1S/C8H11N3O.ClH/c9-8(3-4-8)7-10-6(12-11-7)5-1-2-5;/h5H,1-4,9H2;1H
InChIKeyDIIVBTWTWPDQMC-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.32
Rot. Bonds2

About 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride

1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride (PubChem CID 67390539) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
PubChem CID67390539
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(C3CC3)n2)CC1
InChIInChI=1S/C8H11N3O.ClH/c9-8(3-4-8)7-10-6(12-11-7)5-1-2-5;/h5H,1-4,9H2;1H
InChIKeyDIIVBTWTWPDQMC-UHFFFAOYSA-N
XLogP1.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3,4-dimethylcyclohexan-1-amine
CID 64746062
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449651
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855602
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyloxolan-3-amine
CID 82719440
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 156745989

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride (CID 67390539) is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2noc(C3CC3)n2)CC1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride?
The InChIKey is DIIVBTWTWPDQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c9-8(3-4-8)7-10-6(12-11-7)5-1-2-5;/h5H,1-4,9H2;1H.
What are the key properties of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride?
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 67390539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).