2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine

C13H17N5O — CID 15050995

IUPAC2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESNc1nc(N2CCOCC2)nn1Cc1ccccc1
InChIInChI=1S/C13H17N5O/c14-12-15-13(17-6-8-19-9-7-17)16-18(12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,15,16)
InChIKeyINXODOBOTCQRNL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.75
Rot. Bonds3

About 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine

2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine (PubChem CID 15050995) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
PubChem CID15050995
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESNc1nc(N2CCOCC2)nn1Cc1ccccc1
InChIInChI=1S/C13H17N5O/c14-12-15-13(17-6-8-19-9-7-17)16-18(12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,15,16)
InChIKeyINXODOBOTCQRNL-UHFFFAOYSA-N
XLogP0.75
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine (CID 15050995) is 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine is Nc1nc(N2CCOCC2)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is INXODOBOTCQRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c14-12-15-13(17-6-8-19-9-7-17)16-18(12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,14,15,16).
What are the key properties of 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine?
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 259.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 15050995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).