N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

C8H11N5O — CID 178154880

IUPACN-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2cn(C)cn2)no1
InChIInChI=1S/C8H11N5O/c1-9-3-7-11-8(12-14-7)6-4-13(2)5-10-6/h4-5,9H,3H2,1-2H3
InChIKeyRUNQSNVEGWCWKH-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.19
Rot. Bonds3

About N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine

N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 178154880) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID178154880
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2cn(C)cn2)no1
InChIInChI=1S/C8H11N5O/c1-9-3-7-11-8(12-14-7)6-4-13(2)5-10-6/h4-5,9H,3H2,1-2H3
InChIKeyRUNQSNVEGWCWKH-UHFFFAOYSA-N
XLogP0.19
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 178154880) is N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(-c2cn(C)cn2)no1.
What is the InChIKey of N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is RUNQSNVEGWCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-9-3-7-11-8(12-14-7)6-4-13(2)5-10-6/h4-5,9H,3H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 193.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 178154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).