2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C9H7N5O2 — CID 86720892

IUPAC2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESN#CCc1cnc2c(C(=O)O)c(N)nn2c1
InChIInChI=1S/C9H7N5O2/c10-2-1-5-3-12-8-6(9(15)16)7(11)13-14(8)4-5/h3-4H,1H2,(H2,11,13)(H,15,16)
InChIKeyHSYIBIQQUGIIOK-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.08
Rot. Bonds2

About 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 86720892) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID86720892
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC Name2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESN#CCc1cnc2c(C(=O)O)c(N)nn2c1
InChIInChI=1S/C9H7N5O2/c10-2-1-5-3-12-8-6(9(15)16)7(11)13-14(8)4-5/h3-4H,1H2,(H2,11,13)(H,15,16)
InChIKeyHSYIBIQQUGIIOK-UHFFFAOYSA-N
XLogP0.08
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 86720892) is 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is N#CCc1cnc2c(C(=O)O)c(N)nn2c1.
What is the InChIKey of 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is HSYIBIQQUGIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c10-2-1-5-3-12-8-6(9(15)16)7(11)13-14(8)4-5/h3-4H,1H2,(H2,11,13)(H,15,16).
What are the key properties of 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 217.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 86720892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).