2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol

C11H16N4O3 — CID 107849242

IUPAC2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
SMILESCc1cc2c(NC(CO)(CO)CO)nccn2n1
InChIInChI=1S/C11H16N4O3/c1-8-4-9-10(12-2-3-15(9)14-8)13-11(5-16,6-17)7-18/h2-4,16-18H,5-7H2,1H3,(H,12,13)
InChIKeyNLAFZZCIANFDRU-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.83
Rot. Bonds5

About 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol

2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol (PubChem CID 107849242) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
PubChem CID107849242
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol
SMILESCc1cc2c(NC(CO)(CO)CO)nccn2n1
InChIInChI=1S/C11H16N4O3/c1-8-4-9-10(12-2-3-15(9)14-8)13-11(5-16,6-17)7-18/h2-4,16-18H,5-7H2,1H3,(H,12,13)
InChIKeyNLAFZZCIANFDRU-UHFFFAOYSA-N
XLogP-0.83
TPSA102.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol (CID 107849242) is 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol is Cc1cc2c(NC(CO)(CO)CO)nccn2n1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
The InChIKey is NLAFZZCIANFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-4-9-10(12-2-3-15(9)14-8)13-11(5-16,6-17)7-18/h2-4,16-18H,5-7H2,1H3,(H,12,13).
What are the key properties of 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol has a molecular weight of 252.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107849242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).