1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine

C13H25N5O — CID 79052076

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCn1ncnc1CC(N)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H25N5O/c1-4-18-12(15-10-16-18)9-11(14)13(2,3)17-5-7-19-8-6-17/h10-11H,4-9,14H2,1-3H3
InChIKeyRENRYPXFSVPLPW-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.28
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine

1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine (PubChem CID 79052076) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
PubChem CID79052076
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
SMILESCCn1ncnc1CC(N)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H25N5O/c1-4-18-12(15-10-16-18)9-11(14)13(2,3)17-5-7-19-8-6-17/h10-11H,4-9,14H2,1-3H3
InChIKeyRENRYPXFSVPLPW-UHFFFAOYSA-N
XLogP0.28
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine (CID 79052076) is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine is CCn1ncnc1CC(N)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
The InChIKey is RENRYPXFSVPLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-18-12(15-10-16-18)9-11(14)13(2,3)17-5-7-19-8-6-17/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine?
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 79052076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).