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

C6H10ClN3O — CID 56773494

IUPAC(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc(C2CC2)n1
InChIInChI=1S/C6H9N3O.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3,7H2;1H
InChIKeyKBQVOEOUNQLWAT-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.83
Rot. Bonds2

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

(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 56773494) has the molecular formula C6H10ClN3O and a molecular weight of 175.62 g/mol. Its IUPAC name is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID56773494
Molecular FormulaC6H10ClN3O
Molecular Weight175.62 g/mol
Exact Mass175.05
IUPAC Name(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCl.NCc1noc(C2CC2)n1
InChIInChI=1S/C6H9N3O.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3,7H2;1H
InChIKeyKBQVOEOUNQLWAT-UHFFFAOYSA-N
XLogP0.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 56773494) is (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cl.NCc1noc(C2CC2)n1.
What is the InChIKey of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is KBQVOEOUNQLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.ClH/c7-3-5-8-6(10-9-5)4-1-2-4;/h4H,1-3,7H2;1H.
What are the key properties of (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 175.62 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 56773494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).