1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol

C12H19ClN4O2 — CID 112627067

IUPAC1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCCCOc1nc(Cl)nc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-3-6-19-12-15-10(13)14-11(16-12)17-5-4-9(7-17)8(2)18/h8-9,18H,3-7H2,1-2H3
InChIKeyXXXBDVXUUHTVPL-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.52
Rot. Bonds5

About 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112627067) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112627067
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCCCOc1nc(Cl)nc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-3-6-19-12-15-10(13)14-11(16-12)17-5-4-9(7-17)8(2)18/h8-9,18H,3-7H2,1-2H3
InChIKeyXXXBDVXUUHTVPL-UHFFFAOYSA-N
XLogP1.52
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022
2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 102963297
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107228423
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
(1R)-1-[(3R)-1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 124733029
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62864691
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol (CID 112627067) is 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol is CCCOc1nc(Cl)nc(N2CCC(C(C)O)C2)n1.
What is the InChIKey of 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is XXXBDVXUUHTVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-3-6-19-12-15-10(13)14-11(16-12)17-5-4-9(7-17)8(2)18/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 286.76 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).