6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H22N8O — CID 56751881

IUPAC6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCn3ccnn3)cnn2c1
InChIInChI=1S/C16H22N8O/c1-3-22(4-2)11-13-9-18-15-14(10-20-24(15)12-13)16(25)17-5-7-23-8-6-19-21-23/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,25)
InChIKeyDTAQKKPLBXRENM-UHFFFAOYSA-N
MW342.41 g/mol
LogP0.59
Rot. Bonds8

About 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56751881) has the molecular formula C16H22N8O and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56751881
Molecular FormulaC16H22N8O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCCn3ccnn3)cnn2c1
InChIInChI=1S/C16H22N8O/c1-3-22(4-2)11-13-9-18-15-14(10-20-24(15)12-13)16(25)17-5-7-23-8-6-19-21-23/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,25)
InChIKeyDTAQKKPLBXRENM-UHFFFAOYSA-N
XLogP0.59
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56751881) is 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCCn3ccnn3)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DTAQKKPLBXRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O/c1-3-22(4-2)11-13-9-18-15-14(10-20-24(15)12-13)16(25)17-5-7-23-8-6-19-21-23/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,25).
What are the key properties of 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-[2-(triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56751881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).