3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C15H21N5O — CID 91781413

IUPAC3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(COc2ccc(C)nc2)nnc1C1CC(N)C1
InChIInChI=1S/C15H21N5O/c1-3-20-14(9-21-13-5-4-10(2)17-8-13)18-19-15(20)11-6-12(16)7-11/h4-5,8,11-12H,3,6-7,9,16H2,1-2H3
InChIKeyDRLYFPFVZBCSHC-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.79
Rot. Bonds5

About 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91781413) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91781413
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(COc2ccc(C)nc2)nnc1C1CC(N)C1
InChIInChI=1S/C15H21N5O/c1-3-20-14(9-21-13-5-4-10(2)17-8-13)18-19-15(20)11-6-12(16)7-11/h4-5,8,11-12H,3,6-7,9,16H2,1-2H3
InChIKeyDRLYFPFVZBCSHC-UHFFFAOYSA-N
XLogP1.79
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91781413) is 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(COc2ccc(C)nc2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is DRLYFPFVZBCSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-20-14(9-21-13-5-4-10(2)17-8-13)18-19-15(20)11-6-12(16)7-11/h4-5,8,11-12H,3,6-7,9,16H2,1-2H3.
What are the key properties of 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91781413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).