1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine

C6H12N4 — CID 84762618

IUPAC1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine
SMILESCCc1n[nH]nc1CNC
InChIInChI=1S/C6H12N4/c1-3-5-6(4-7-2)9-10-8-5/h7H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyRAJKVXHYCYXCHF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.09
Rot. Bonds3

About 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine

1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine (PubChem CID 84762618) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine
PubChem CID84762618
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine
SMILESCCc1n[nH]nc1CNC
InChIInChI=1S/C6H12N4/c1-3-5-6(4-7-2)9-10-8-5/h7H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyRAJKVXHYCYXCHF-UHFFFAOYSA-N
XLogP0.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine (CID 84762618) is 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine is CCc1n[nH]nc1CNC.
What is the InChIKey of 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine?
The InChIKey is RAJKVXHYCYXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-3-5-6(4-7-2)9-10-8-5/h7H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine?
1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine has a molecular weight of 140.19 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2H-triazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 84762618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).