2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol

C12H15N5O2 — CID 756025

IUPAC2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol
SMILESOCCN1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C12H15N5O2/c18-6-5-17-7-13-11(14-8-17)16-12-15-9-3-1-2-4-10(9)19-12/h1-4,18H,5-8H2,(H2,13,14,15,16)
InChIKeyNEELBYGMXGGFDM-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.41
Rot. Bonds3

About 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol

2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol (PubChem CID 756025) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol
PubChem CID756025
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol
SMILESOCCN1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C12H15N5O2/c18-6-5-17-7-13-11(14-8-17)16-12-15-9-3-1-2-4-10(9)19-12/h1-4,18H,5-8H2,(H2,13,14,15,16)
InChIKeyNEELBYGMXGGFDM-UHFFFAOYSA-N
XLogP0.41
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol (CID 756025) is 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol is OCCN1CN=C(Nc2nc3ccccc3o2)NC1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol?
The InChIKey is NEELBYGMXGGFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-6-5-17-7-13-11(14-8-17)16-12-15-9-3-1-2-4-10(9)19-12/h1-4,18H,5-8H2,(H2,13,14,15,16).
What are the key properties of 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol?
2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol has a molecular weight of 261.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-ylamino)-2,4-dihydro-1H-1,3,5-triazin-3-yl]ethanol is sourced from PubChem (CID 756025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).