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

C10H15ClN6 — CID 55037740

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCc1ncc(Cl)n1C)c1nncn1C
InChIInChI=1S/C10H15ClN6/c1-7(10-15-14-6-16(10)2)12-5-9-13-4-8(11)17(9)3/h4,6-7,12H,5H2,1-3H3
InChIKeyBTKXXXOKPFJOSC-UHFFFAOYSA-N
MW254.73 g/mol
LogP1.05
Rot. Bonds4

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

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 55037740) has the molecular formula C10H15ClN6 and a molecular weight of 254.73 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID55037740
Molecular FormulaC10H15ClN6
Molecular Weight254.73 g/mol
Exact Mass254.10
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCc1ncc(Cl)n1C)c1nncn1C
InChIInChI=1S/C10H15ClN6/c1-7(10-15-14-6-16(10)2)12-5-9-13-4-8(11)17(9)3/h4,6-7,12H,5H2,1-3H3
InChIKeyBTKXXXOKPFJOSC-UHFFFAOYSA-N
XLogP1.05
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 55037740) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(NCc1ncc(Cl)n1C)c1nncn1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is BTKXXXOKPFJOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-7(10-15-14-6-16(10)2)12-5-9-13-4-8(11)17(9)3/h4,6-7,12H,5H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 254.73 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 55037740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).