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

C11H18N6 — CID 106718824

IUPACN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nnc(C)n2C)cn1
InChIInChI=1S/C11H18N6/c1-4-12-5-10-6-17(8-13-10)7-11-15-14-9(2)16(11)3/h6,8,12H,4-5,7H2,1-3H3
InChIKeySLFXQIHTXCOFCN-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.48
Rot. Bonds5

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

N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718824) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718824
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nnc(C)n2C)cn1
InChIInChI=1S/C11H18N6/c1-4-12-5-10-6-17(8-13-10)7-11-15-14-9(2)16(11)3/h6,8,12H,4-5,7H2,1-3H3
InChIKeySLFXQIHTXCOFCN-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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Related Compounds

N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718905
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718891
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718842
N-[[1-(3-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106718702
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719161
methyl 3-[4-(ethylaminomethyl)imidazol-1-yl]propanoate
CID 106718603
N-[[1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204643
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
3-[4-(ethylaminomethyl)imidazol-1-yl]-2-methylpropanamide
CID 106718572
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106718824) is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2nnc(C)n2C)cn1.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is SLFXQIHTXCOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-4-12-5-10-6-17(8-13-10)7-11-15-14-9(2)16(11)3/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-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-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).