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

C7H14N4 — CID 155366152

IUPAC1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine
SMILESCCc1n[nH]nc1CN(C)C
InChIInChI=1S/C7H14N4/c1-4-6-7(5-11(2)3)9-10-8-6/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyCQDFGHDVKUCPBN-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.43
Rot. Bonds3

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

1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine (PubChem CID 155366152) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine
PubChem CID155366152
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine
SMILESCCc1n[nH]nc1CN(C)C
InChIInChI=1S/C7H14N4/c1-4-6-7(5-11(2)3)9-10-8-6/h4-5H2,1-3H3,(H,8,9,10)
InChIKeyCQDFGHDVKUCPBN-UHFFFAOYSA-N
XLogP0.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
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,N-dimethylmethanamine?
The IUPAC name of 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine (CID 155366152) is 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine is CCc1n[nH]nc1CN(C)C.
What is the InChIKey of 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine?
The InChIKey is CQDFGHDVKUCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-6-7(5-11(2)3)9-10-8-6/h4-5H2,1-3H3,(H,8,9,10).
What are the key properties of 1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine?
1-(5-ethyl-2H-triazol-4-yl)-N,N-dimethylmethanamine has a molecular weight of 154.22 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 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,N-dimethylmethanamine is sourced from PubChem (CID 155366152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).