N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine

C11H18N6 — CID 107054650

IUPACN-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2cn(C)nn2)c1C
InChIInChI=1S/C11H18N6/c1-4-12-5-10-6-13-17(9(10)2)8-11-7-16(3)15-14-11/h6-7,12H,4-5,8H2,1-3H3
InChIKeyBAUWUWRPZTZMFN-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.48
Rot. Bonds5

About N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 107054650) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID107054650
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2cn(C)nn2)c1C
InChIInChI=1S/C11H18N6/c1-4-12-5-10-6-13-17(9(10)2)8-11-7-16(3)15-14-11/h6-7,12H,4-5,8H2,1-3H3
InChIKeyBAUWUWRPZTZMFN-UHFFFAOYSA-N
XLogP0.48
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 107054650) is N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(Cc2cn(C)nn2)c1C.
What is the InChIKey of N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is BAUWUWRPZTZMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-12-5-10-6-13-17(9(10)2)8-11-7-16(3)15-14-11/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 234.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 107054650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).