1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol

C12H21N5O3 — CID 106674611

IUPAC1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
SMILESCCCOc1nc(NCC)nc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C12H21N5O3/c1-3-5-20-12-15-10(13-4-2)14-11(16-12)17-6-8(18)9(19)7-17/h8-9,18-19H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyXZKUMZAHTLTQNK-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.37
Rot. Bonds6

About 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol

1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol (PubChem CID 106674611) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
PubChem CID106674611
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol
SMILESCCCOc1nc(NCC)nc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C12H21N5O3/c1-3-5-20-12-15-10(13-4-2)14-11(16-12)17-6-8(18)9(19)7-17/h8-9,18-19H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyXZKUMZAHTLTQNK-UHFFFAOYSA-N
XLogP-0.37
TPSA103.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol 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

4-(3,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80848798
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
CID 114684040
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80810981
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
4-(3,4-dimethoxypyrrolidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 103541981
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
N-ethyl-4-(2-methylazepan-1-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80821345
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol (CID 106674611) is 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol is CCCOc1nc(NCC)nc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
The InChIKey is XZKUMZAHTLTQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-3-5-20-12-15-10(13-4-2)14-11(16-12)17-6-8(18)9(19)7-17/h8-9,18-19H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol?
1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol has a molecular weight of 283.33 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).