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

C8H10Cl2N4O — CID 56832307

IUPAC(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C8H8N4O.2ClH/c9-4-7-11-8(12-13-7)6-2-1-3-10-5-6;;/h1-3,5H,4,9H2;2*1H
InChIKeyVCISCFABTKWQSA-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.43
Rot. Bonds2

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

(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride (PubChem CID 56832307) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
PubChem CID56832307
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C8H8N4O.2ClH/c9-4-7-11-8(12-13-7)6-2-1-3-10-5-6;;/h1-3,5H,4,9H2;2*1H
InChIKeyVCISCFABTKWQSA-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-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride (CID 56832307) is (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride is Cl.Cl.NCc1nc(-c2cccnc2)no1.
What is the InChIKey of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
The InChIKey is VCISCFABTKWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O.2ClH/c9-4-7-11-8(12-13-7)6-2-1-3-10-5-6;;/h1-3,5H,4,9H2;2*1H.
What are the key properties of (3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride?
(3-pyridin-3-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-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 56832307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).