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

C10H11ClN4O — CID 119947949

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C10H10N4O.ClH/c11-10(3-4-10)9-13-8(14-15-9)7-2-1-5-12-6-7;/h1-2,5-6H,3-4,11H2;1H
InChIKeyHHOLDZZROLEVCH-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.50
Rot. Bonds2

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

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride (PubChem CID 119947949) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
PubChem CID119947949
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C10H10N4O.ClH/c11-10(3-4-10)9-13-8(14-15-9)7-2-1-5-12-6-7;/h1-2,5-6H,3-4,11H2;1H
InChIKeyHHOLDZZROLEVCH-UHFFFAOYSA-N
XLogP1.50
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride (CID 119947949) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2nc(-c3cccnc3)no2)CC1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
The InChIKey is HHOLDZZROLEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O.ClH/c11-10(3-4-10)9-13-8(14-15-9)7-2-1-5-12-6-7;/h1-2,5-6H,3-4,11H2;1H.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride has a molecular weight of 238.68 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 119947949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).