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

C9H12N4O — CID 96751951

IUPACN-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2ccn(C)c2)no1
InChIInChI=1S/C9H12N4O/c1-10-5-8-11-9(12-14-8)7-3-4-13(2)6-7/h3-4,6,10H,5H2,1-2H3
InChIKeyPRIMSWVGZOXZIE-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.79
Rot. Bonds3

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

N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 96751951) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID96751951
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCNCc1nc(-c2ccn(C)c2)no1
InChIInChI=1S/C9H12N4O/c1-10-5-8-11-9(12-14-8)7-3-4-13(2)6-7/h3-4,6,10H,5H2,1-2H3
InChIKeyPRIMSWVGZOXZIE-UHFFFAOYSA-N
XLogP0.79
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 96751951) is N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is CNCc1nc(-c2ccn(C)c2)no1.
What is the InChIKey of N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PRIMSWVGZOXZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-10-5-8-11-9(12-14-8)7-3-4-13(2)6-7/h3-4,6,10H,5H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine?
N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 192.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylpyrrol-3-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 96751951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).