N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine

C12H20N6O — CID 81341212

IUPACN-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(OCCn2cc(CNC(C)C)nn2)n[nH]1
InChIInChI=1S/C12H20N6O/c1-9(2)13-7-11-8-18(17-15-11)4-5-19-12-6-10(3)14-16-12/h6,8-9,13H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyMYFOHAHUELLKLL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.89
Rot. Bonds7

About N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 81341212) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID81341212
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(OCCn2cc(CNC(C)C)nn2)n[nH]1
InChIInChI=1S/C12H20N6O/c1-9(2)13-7-11-8-18(17-15-11)4-5-19-12-6-10(3)14-16-12/h6,8-9,13H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyMYFOHAHUELLKLL-UHFFFAOYSA-N
XLogP0.89
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-amine
CID 117989217
5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole
CID 123862740
1-methyl-3-[(1-methyl-1H-pyrazol-5-yl)methoxy]-1H-pyrazol-4-amine
CID 66509591
N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 81332952
N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81333906
2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 81341312
5-(2,5-Dimethylpyrazol-3-yl)oxy-1-ethyl-3-methylpyrazol-4-amine
CID 81341341
2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 81341397
[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine
CID 81341412
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341455
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
CID 81341590
N-methyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341591

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 81341212) is N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine is Cc1cc(OCCn2cc(CNC(C)C)nn2)n[nH]1.
What is the InChIKey of N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is MYFOHAHUELLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-9(2)13-7-11-8-18(17-15-11)4-5-19-12-6-10(3)14-16-12/h6,8-9,13H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 264.33 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 81341212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).