2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol

C10H15N5O2 — CID 68941044

IUPAC2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol
SMILESNc1ncnc2c(CCC(CO)CO)cnn12
InChIInChI=1S/C10H15N5O2/c11-10-13-6-12-9-8(3-14-15(9)10)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,13)
InChIKeyUIOBABCTTWCIIY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.76
Rot. Bonds5

About 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol

2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol (PubChem CID 68941044) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol
PubChem CID68941044
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol
SMILESNc1ncnc2c(CCC(CO)CO)cnn12
InChIInChI=1S/C10H15N5O2/c11-10-13-6-12-9-8(3-14-15(9)10)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,13)
InChIKeyUIOBABCTTWCIIY-UHFFFAOYSA-N
XLogP-0.76
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol with MolForge

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Related Compounds

1-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propan-1-ol
CID 24874171
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol
CID 12773578
3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 15578993
3-{[1,2,3,4]Tetrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol
CID 127013447
1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
CID 91149484
8-[3-Fluoro-2-(phosphorosomethoxy)propyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 130426096
3-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
CID 130427368
8-(2-Butoxy-3-fluoropropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 130427713
1-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3-fluoropropan-2-ol
CID 130427715
3-Amino-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806722
1-(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)butan-1-ol
CID 91149485
8-(3-Fluoro-2-methylpropyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 161185445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol (CID 68941044) is 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol is Nc1ncnc2c(CCC(CO)CO)cnn12.
What is the InChIKey of 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol?
The InChIKey is UIOBABCTTWCIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-10-13-6-12-9-8(3-14-15(9)10)2-1-7(4-16)5-17/h3,6-7,16-17H,1-2,4-5H2,(H2,11,12,13).
What are the key properties of 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol?
2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol has a molecular weight of 237.26 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 68941044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).