N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine

C6H12N4 — CID 59155059

IUPACN-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESCCN(C)Cc1cn[nH]n1
InChIInChI=1S/C6H12N4/c1-3-10(2)5-6-4-7-9-8-6/h4H,3,5H2,1-2H3,(H,7,8,9)
InChIKeyJJEOSTFTFMVWDT-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.26
Rot. Bonds3

About N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine

N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine (PubChem CID 59155059) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
PubChem CID59155059
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
SMILESCCN(C)Cc1cn[nH]n1
InChIInChI=1S/C6H12N4/c1-3-10(2)5-6-4-7-9-8-6/h4H,3,5H2,1-2H3,(H,7,8,9)
InChIKeyJJEOSTFTFMVWDT-UHFFFAOYSA-N
XLogP0.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
The IUPAC name of N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine (CID 59155059) is N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine is CCN(C)Cc1cn[nH]n1.
What is the InChIKey of N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
The InChIKey is JJEOSTFTFMVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-10(2)5-6-4-7-9-8-6/h4H,3,5H2,1-2H3,(H,7,8,9).
What are the key properties of N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine?
N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 59155059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).