2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine

C7H14N4 — CID 82467866

IUPAC2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine
SMILESCNCCc1nc(C)n(C)n1
InChIInChI=1S/C7H14N4/c1-6-9-7(4-5-8-2)10-11(6)3/h8H,4-5H2,1-3H3
InChIKeyFJHHTUTUDVMTBN-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine

2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine (PubChem CID 82467866) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine
PubChem CID82467866
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine
SMILESCNCCc1nc(C)n(C)n1
InChIInChI=1S/C7H14N4/c1-6-9-7(4-5-8-2)10-11(6)3/h8H,4-5H2,1-3H3
InChIKeyFJHHTUTUDVMTBN-UHFFFAOYSA-N
XLogP-0.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)methyl]-1,5-dimethyl-1,2,4-triazole
CID 82486920
2-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylethanamine
CID 83844072
1,5-dimethyl-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-triazole
CID 166318386
N-methyl-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 103121877
N-methyl-2-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115079552
N-methyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine
CID 84653523
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
2-(2-ethyl-4,6-dimethylpyrimidin-5-yl)-N-methylethanamine
CID 62746334
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 62734128
N-methyl-2-(1,2,5-trimethylpyrrol-3-yl)ethanamine
CID 82490467
N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
CID 84665096
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745255

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine (CID 82467866) is 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine is CNCCc1nc(C)n(C)n1.
What is the InChIKey of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The InChIKey is FJHHTUTUDVMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6-9-7(4-5-8-2)10-11(6)3/h8H,4-5H2,1-3H3.
What are the key properties of 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine has a molecular weight of 154.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 82467866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).