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

C13H22N6O — CID 81341872

IUPAC2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(OCCn2cc(CNC(C)(C)C)nn2)n[nH]1
InChIInChI=1S/C13H22N6O/c1-10-7-12(17-15-10)20-6-5-19-9-11(16-18-19)8-14-13(2,3)4/h7,9,14H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyCZZZCZHNCBTFLZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.28
Rot. Bonds6

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

2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 81341872) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID81341872
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(OCCn2cc(CNC(C)(C)C)nn2)n[nH]1
InChIInChI=1S/C13H22N6O/c1-10-7-12(17-15-10)20-6-5-19-9-11(16-18-19)8-14-13(2,3)4/h7,9,14H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyCZZZCZHNCBTFLZ-UHFFFAOYSA-N
XLogP1.28
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 81341872) is 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine is Cc1cc(OCCn2cc(CNC(C)(C)C)nn2)n[nH]1.
What is the InChIKey of 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is CZZZCZHNCBTFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-10-7-12(17-15-10)20-6-5-19-9-11(16-18-19)8-14-13(2,3)4/h7,9,14H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 278.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 81341872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).