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

C14H16N6O — CID 62118457

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1cnnc1CNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H16N6O/c1-20-10-16-18-13(20)8-15-9-14-17-12(19-21-14)7-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyFDGOFFKXLAQPRD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.08
Rot. Bonds6

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62118457) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
PubChem CID62118457
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1cnnc1CNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H16N6O/c1-20-10-16-18-13(20)8-15-9-14-17-12(19-21-14)7-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3
InChIKeyFDGOFFKXLAQPRD-UHFFFAOYSA-N
XLogP1.08
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine (CID 62118457) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine is Cn1cnnc1CNCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is FDGOFFKXLAQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-10-16-18-13(20)8-15-9-14-17-12(19-21-14)7-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 284.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62118457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).