5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H15N7O2S — CID 71199014

IUPAC5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CNCCS2(=O)=O)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C13H15N7O2S/c14-12-3-10(11-7-15-1-2-23(11,21)22)19-13-9(6-18-20(12)13)8-4-16-17-5-8/h3-6,11,15H,1-2,7,14H2,(H,16,17)
InChIKeyYQVPBXPBPIZWFC-UHFFFAOYSA-N
MW333.38 g/mol
LogP-0.24
Rot. Bonds2

About 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71199014) has the molecular formula C13H15N7O2S and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71199014
Molecular FormulaC13H15N7O2S
Molecular Weight333.38 g/mol
Exact Mass333.10
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CNCCS2(=O)=O)nc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C13H15N7O2S/c14-12-3-10(11-7-15-1-2-23(11,21)22)19-13-9(6-18-20(12)13)8-4-16-17-5-8/h3-6,11,15H,1-2,7,14H2,(H,16,17)
InChIKeyYQVPBXPBPIZWFC-UHFFFAOYSA-N
XLogP-0.24
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 71199014) is 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CNCCS2(=O)=O)nc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YQVPBXPBPIZWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2S/c14-12-3-10(11-7-15-1-2-23(11,21)22)19-13-9(6-18-20(12)13)8-4-16-17-5-8/h3-6,11,15H,1-2,7,14H2,(H,16,17).
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 333.38 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-2-yl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71199014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).