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

C11H17N5O — CID 104579848

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2nnc(C)n2C)o1
InChIInChI=1S/C11H17N5O/c1-7-5-13-11(17-7)8(2)12-6-10-15-14-9(3)16(10)4/h5,8,12H,6H2,1-4H3
InChIKeyJUINIAZQODNJHT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.27
Rot. Bonds4

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

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 104579848) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID104579848
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2nnc(C)n2C)o1
InChIInChI=1S/C11H17N5O/c1-7-5-13-11(17-7)8(2)12-6-10-15-14-9(3)16(10)4/h5,8,12H,6H2,1-4H3
InChIKeyJUINIAZQODNJHT-UHFFFAOYSA-N
XLogP1.27
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 104579848) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2nnc(C)n2C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is JUINIAZQODNJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-5-13-11(17-7)8(2)12-6-10-15-14-9(3)16(10)4/h5,8,12H,6H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 104579848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).