7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H10N6O — CID 171933668

IUPAC7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nn2c(N)cc(=O)[nH]c12
InChIInChI=1S/C13H10N6O/c14-7-9-12(16-8-4-2-1-3-5-8)18-19-10(15)6-11(20)17-13(9)19/h1-6H,15H2,(H,16,18)(H,17,20)
InChIKeyLXABTHJGYWOXPI-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.22
Rot. Bonds2

About 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 171933668) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID171933668
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nn2c(N)cc(=O)[nH]c12
InChIInChI=1S/C13H10N6O/c14-7-9-12(16-8-4-2-1-3-5-8)18-19-10(15)6-11(20)17-13(9)19/h1-6H,15H2,(H,16,18)(H,17,20)
InChIKeyLXABTHJGYWOXPI-UHFFFAOYSA-N
XLogP1.22
TPSA112.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 171933668) is 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c(Nc2ccccc2)nn2c(N)cc(=O)[nH]c12.
What is the InChIKey of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LXABTHJGYWOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c14-7-9-12(16-8-4-2-1-3-5-8)18-19-10(15)6-11(20)17-13(9)19/h1-6H,15H2,(H,16,18)(H,17,20).
What are the key properties of 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-anilino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 171933668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).