(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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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).