4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine

C16H19N5O — CID 19426661

IUPAC4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
SMILESc1cc2[nH]cc(CCN3CCOCC3)c2cc1-n1cnnc1
InChIInChI=1S/C16H19N5O/c1-2-16-15(9-14(1)21-11-18-19-12-21)13(10-17-16)3-4-20-5-7-22-8-6-20/h1-2,9-12,17H,3-8H2
InChIKeyXQRDHDYREUREJY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.62
Rot. Bonds4

About 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine

4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine (PubChem CID 19426661) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
PubChem CID19426661
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
SMILESc1cc2[nH]cc(CCN3CCOCC3)c2cc1-n1cnnc1
InChIInChI=1S/C16H19N5O/c1-2-16-15(9-14(1)21-11-18-19-12-21)13(10-17-16)3-4-20-5-7-22-8-6-20/h1-2,9-12,17H,3-8H2
InChIKeyXQRDHDYREUREJY-UHFFFAOYSA-N
XLogP1.62
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine (CID 19426661) is 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine is c1cc2[nH]cc(CCN3CCOCC3)c2cc1-n1cnnc1.
What is the InChIKey of 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine?
The InChIKey is XQRDHDYREUREJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-16-15(9-14(1)21-11-18-19-12-21)13(10-17-16)3-4-20-5-7-22-8-6-20/h1-2,9-12,17H,3-8H2.
What are the key properties of 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine?
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine has a molecular weight of 297.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine is sourced from PubChem (CID 19426661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).