1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine

C10H15N5O — CID 66194242

IUPAC1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nc(C)c(C)o2)nn1
InChIInChI=1S/C10H15N5O/c1-7-8(2)16-10(12-7)6-15-5-9(4-11-3)13-14-15/h5,11H,4,6H2,1-3H3
InChIKeyXLLQZFGYWNPXET-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.65
Rot. Bonds4

About 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine

1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 66194242) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID66194242
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nc(C)c(C)o2)nn1
InChIInChI=1S/C10H15N5O/c1-7-8(2)16-10(12-7)6-15-5-9(4-11-3)13-14-15/h5,11H,4,6H2,1-3H3
InChIKeyXLLQZFGYWNPXET-UHFFFAOYSA-N
XLogP0.65
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine (CID 66194242) is 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2nc(C)c(C)o2)nn1.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is XLLQZFGYWNPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-8(2)16-10(12-7)6-15-5-9(4-11-3)13-14-15/h5,11H,4,6H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66194242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).