2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol

C17H18N4O2 — CID 42404029

IUPAC2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol
SMILESCc1ccc(-c2cnnc(N(CCO)Cc3ccccc3)n2)o1
InChIInChI=1S/C17H18N4O2/c1-13-7-8-16(23-13)15-11-18-20-17(19-15)21(9-10-22)12-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3
InChIKeyPPWANMQEUKCOIL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.44
Rot. Bonds6

About 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol

2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol (PubChem CID 42404029) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol
PubChem CID42404029
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol
SMILESCc1ccc(-c2cnnc(N(CCO)Cc3ccccc3)n2)o1
InChIInChI=1S/C17H18N4O2/c1-13-7-8-16(23-13)15-11-18-20-17(19-15)21(9-10-22)12-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3
InChIKeyPPWANMQEUKCOIL-UHFFFAOYSA-N
XLogP2.44
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol?
The IUPAC name of 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol (CID 42404029) is 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol is Cc1ccc(-c2cnnc(N(CCO)Cc3ccccc3)n2)o1.
What is the InChIKey of 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol?
The InChIKey is PPWANMQEUKCOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-7-8-16(23-13)15-11-18-20-17(19-15)21(9-10-22)12-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3.
What are the key properties of 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol?
2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol has a molecular weight of 310.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]amino]ethanol is sourced from PubChem (CID 42404029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).