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

C4H8ClN3O — CID 46735538

IUPAC(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(CN)no1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3-6-4(2-5)7-8-3;/h2,5H2,1H3;1H
InChIKeyPMGNTVSNOHHGFJ-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.26
Rot. Bonds1

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

(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 46735538) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID46735538
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nc(CN)no1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3-6-4(2-5)7-8-3;/h2,5H2,1H3;1H
InChIKeyPMGNTVSNOHHGFJ-UHFFFAOYSA-N
XLogP0.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 46735538) is (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is Cc1nc(CN)no1.Cl.
What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is PMGNTVSNOHHGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-3-6-4(2-5)7-8-3;/h2,5H2,1H3;1H.
What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 46735538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).