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

C10H15ClN6 — CID 63332661

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1CCNCc1ncc(Cl)n1C
InChIInChI=1S/C10H15ClN6/c1-16-7-14-15-9(16)3-4-12-6-10-13-5-8(11)17(10)2/h5,7,12H,3-4,6H2,1-2H3
InChIKeyIBJZSFFYBSNGLB-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.53
Rot. Bonds5

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

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 63332661) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID63332661
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1cnnc1CCNCc1ncc(Cl)n1C
InChIInChI=1S/C10H15ClN6/c1-16-7-14-15-9(16)3-4-12-6-10-13-5-8(11)17(10)2/h5,7,12H,3-4,6H2,1-2H3
InChIKeyIBJZSFFYBSNGLB-UHFFFAOYSA-N
XLogP0.53
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107124058
N-[(2,6-dichlorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329248
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 60687993
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 63332413
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
N-[(5-chlorofuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332265
N-[(2-chloro-3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112652052
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62615069
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202481
N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
2-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 63332232
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 63332661) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1cnnc1CCNCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is IBJZSFFYBSNGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-16-7-14-15-9(16)3-4-12-6-10-13-5-8(11)17(10)2/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 254.72 g/mol, XLogP of 0.53, 5 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]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 63332661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).