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

C13H22N6O — CID 81341312

IUPAC2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCc1cc(OCCn2cc(CNCC(C)C)nn2)n[nH]1
InChIInChI=1S/C13H22N6O/c1-10(2)7-14-8-12-9-19(18-16-12)4-5-20-13-6-11(3)15-17-13/h6,9-10,14H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyQEGOHKFTJYLUEC-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.13
Rot. Bonds8

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

2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 81341312) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID81341312
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-1-amine
SMILESCc1cc(OCCn2cc(CNCC(C)C)nn2)n[nH]1
InChIInChI=1S/C13H22N6O/c1-10(2)7-14-8-12-9-19(18-16-12)4-5-20-13-6-11(3)15-17-13/h6,9-10,14H,4-5,7-8H2,1-3H3,(H,15,17)
InChIKeyQEGOHKFTJYLUEC-UHFFFAOYSA-N
XLogP1.13
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.13
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-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine (CID 81341312) is 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-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-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine is Cc1cc(OCCn2cc(CNCC(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-1-amine?
The InChIKey is QEGOHKFTJYLUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-10(2)7-14-8-12-9-19(18-16-12)4-5-20-13-6-11(3)15-17-13/h6,9-10,14H,4-5,7-8H2,1-3H3,(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-1-amine?
2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 1.13, 8 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-1-amine is sourced from PubChem (CID 81341312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).