(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride

C8H10Cl2N4O — CID 54592567

IUPAC(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc(-c2ccccn2)no1
InChIInChI=1S/C8H8N4O.2ClH/c9-5-7-11-8(12-13-7)6-3-1-2-4-10-6;;/h1-4H,5,9H2;2*1H
InChIKeyCHQVHCKEYVGBTG-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.43
Rot. Bonds2

About (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride

(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride (PubChem CID 54592567) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
PubChem CID54592567
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc(-c2ccccn2)no1
InChIInChI=1S/C8H8N4O.2ClH/c9-5-7-11-8(12-13-7)6-3-1-2-4-10-6;;/h1-4H,5,9H2;2*1H
InChIKeyCHQVHCKEYVGBTG-UHFFFAOYSA-N
XLogP1.43
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 268849
2-(5-Cyclobutyl-1,2,4-oxadiazol-3-yl)pyridine
CID 2742571
2-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 662473
3-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3164328
2-{5-[(Phenylthio)methyl]-1,2,4-oxadiazol-3-yl}pyridine
CID 2195556
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
US9670193, 11 N-((6-methylpyridin-2-yl)methyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-amine
CID 71577044
US11066396, Example 358
CID 132257988
US11066396, Example 469
CID 162370548
(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)methanamine dihydrochloride
CID 56832307
2-[3-(Pyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine dihydrochloride
CID 71758735
2-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)pyridine
CID 15133766

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride (CID 54592567) is (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride is Cl.Cl.NCc1nc(-c2ccccn2)no1.
What is the InChIKey of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
The InChIKey is CHQVHCKEYVGBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.2ClH/c9-5-7-11-8(12-13-7)6-3-1-2-4-10-6;;/h1-4H,5,9H2;2*1H.
What are the key properties of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride has a molecular weight of 249.10 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 54592567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).