2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol

C11H16ClN5O2 — CID 87239477

IUPAC2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Cl)nc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H16ClN5O2/c12-9-14-10(13-3-4-18)16-11(15-9)17-5-7-1-2-8(6-17)19-7/h7-8,18H,1-6H2,(H,13,14,15,16)
InChIKeyPDBUTJYLCZMEGG-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.30
Rot. Bonds4

About 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 87239477) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID87239477
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Cl)nc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H16ClN5O2/c12-9-14-10(13-3-4-18)16-11(15-9)17-5-7-1-2-8(6-17)19-7/h7-8,18H,1-6H2,(H,13,14,15,16)
InChIKeyPDBUTJYLCZMEGG-UHFFFAOYSA-N
XLogP0.30
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835290
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
3-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 58865494
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 80784909
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62980140
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
CID 63297460

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol (CID 87239477) is 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Cl)nc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is PDBUTJYLCZMEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c12-9-14-10(13-3-4-18)16-11(15-9)17-5-7-1-2-8(6-17)19-7/h7-8,18H,1-6H2,(H,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 285.74 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 87239477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).