(1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine

C12H17N5O — CID 58499379

IUPAC(1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine
SMILESCCn1c(Oc2cccc(C)n2)nnc1[C@@H](C)N
InChIInChI=1S/C12H17N5O/c1-4-17-11(9(3)13)15-16-12(17)18-10-7-5-6-8(2)14-10/h5-7,9H,4,13H2,1-3H3/t9-/m1/s1
InChIKeyLBPJOHVJAQVSKE-SECBINFHSA-N
MW247.30 g/mol
LogP1.81
Rot. Bonds4

About (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine

(1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 58499379) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine
PubChem CID58499379
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine
SMILESCCn1c(Oc2cccc(C)n2)nnc1[C@@H](C)N
InChIInChI=1S/C12H17N5O/c1-4-17-11(9(3)13)15-16-12(17)18-10-7-5-6-8(2)14-10/h5-7,9H,4,13H2,1-3H3/t9-/m1/s1
InChIKeyLBPJOHVJAQVSKE-SECBINFHSA-N
XLogP1.81
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine (CID 58499379) is (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine is CCn1c(Oc2cccc(C)n2)nnc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is LBPJOHVJAQVSKE-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17-11(9(3)13)15-16-12(17)18-10-7-5-6-8(2)14-10/h5-7,9H,4,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine?
(1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-ethyl-5-[(6-methyl-2-pyridinyl)oxy]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 58499379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).