N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine

C8H16N4 — CID 58186538

IUPACN-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cn(CC)nn1
InChIInChI=1S/C8H16N4/c1-4-11(3)6-8-7-12(5-2)10-9-8/h7H,4-6H2,1-3H3
InChIKeyLWXFBBQZJHUHOQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.75
Rot. Bonds4

About N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine

N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine (PubChem CID 58186538) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine
PubChem CID58186538
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1cn(CC)nn1
InChIInChI=1S/C8H16N4/c1-4-11(3)6-8-7-12(5-2)10-9-8/h7H,4-6H2,1-3H3
InChIKeyLWXFBBQZJHUHOQ-UHFFFAOYSA-N
XLogP0.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine (CID 58186538) is N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine is CCN(C)Cc1cn(CC)nn1.
What is the InChIKey of N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine?
The InChIKey is LWXFBBQZJHUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-11(3)6-8-7-12(5-2)10-9-8/h7H,4-6H2,1-3H3.
What are the key properties of N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine?
N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyltriazol-4-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 58186538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).