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

C4H8ClN3O — CID 50998980

IUPAC(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nonc1CN.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3-4(2-5)7-8-6-3;/h2,5H2,1H3;1H
InChIKeyBUALBYKULRRUTR-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.26
Rot. Bonds1

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

(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 50998980) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID50998980
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name(4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCc1nonc1CN.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3-4(2-5)7-8-6-3;/h2,5H2,1H3;1H
InChIKeyBUALBYKULRRUTR-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 (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride (CID 50998980) is (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride is Cc1nonc1CN.Cl.
What is the InChIKey of (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is BUALBYKULRRUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-3-4(2-5)7-8-6-3;/h2,5H2,1H3;1H.
What are the key properties of (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride?
(4-methyl-1,2,5-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 (4-methyl-1,2,5-oxadiazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 50998980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).