2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol

C14H13N5O2 — CID 6412520

IUPAC2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccco2)nnc1-c1ccncc1
InChIInChI=1S/C14H13N5O2/c20-8-7-16-14-12(10-3-5-15-6-4-10)18-19-13(17-14)11-2-1-9-21-11/h1-6,9,20H,7-8H2,(H,16,17,19)
InChIKeyYNSQQFUQUGRURB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.60
Rot. Bonds5

About 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol

2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol (PubChem CID 6412520) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol
PubChem CID6412520
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccco2)nnc1-c1ccncc1
InChIInChI=1S/C14H13N5O2/c20-8-7-16-14-12(10-3-5-15-6-4-10)18-19-13(17-14)11-2-1-9-21-11/h1-6,9,20H,7-8H2,(H,16,17,19)
InChIKeyYNSQQFUQUGRURB-UHFFFAOYSA-N
XLogP1.60
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol?
The IUPAC name of 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol (CID 6412520) is 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol is OCCNc1nc(-c2ccco2)nnc1-c1ccncc1.
What is the InChIKey of 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol?
The InChIKey is YNSQQFUQUGRURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-8-7-16-14-12(10-3-5-15-6-4-10)18-19-13(17-14)11-2-1-9-21-11/h1-6,9,20H,7-8H2,(H,16,17,19).
What are the key properties of 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol?
2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol has a molecular weight of 283.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol is sourced from PubChem (CID 6412520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).