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

C12H20N6 — CID 91840171

IUPACN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCCc1n[nH]c(CN(C)CCn2ccnc2C)n1
InChIInChI=1S/C12H20N6/c1-4-11-14-12(16-15-11)9-17(3)7-8-18-6-5-13-10(18)2/h5-6H,4,7-9H2,1-3H3,(H,14,15,16)
InChIKeyDTOFEDAMKXUSCT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.00
Rot. Bonds6

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

N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 91840171) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID91840171
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCCc1n[nH]c(CN(C)CCn2ccnc2C)n1
InChIInChI=1S/C12H20N6/c1-4-11-14-12(16-15-11)9-17(3)7-8-18-6-5-13-10(18)2/h5-6H,4,7-9H2,1-3H3,(H,14,15,16)
InChIKeyDTOFEDAMKXUSCT-UHFFFAOYSA-N
XLogP1.00
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (CID 91840171) is N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is CCc1n[nH]c(CN(C)CCn2ccnc2C)n1.
What is the InChIKey of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is DTOFEDAMKXUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-11-14-12(16-15-11)9-17(3)7-8-18-6-5-13-10(18)2/h5-6H,4,7-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 248.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 91840171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).