6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde

C7H6N4O — CID 84651333

IUPAC6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESNc1cnc2cc(C=O)nn2c1
InChIInChI=1S/C7H6N4O/c8-5-2-9-7-1-6(4-12)10-11(7)3-5/h1-4H,8H2
InChIKeyVJECOCZYPXVCGC-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.12
Rot. Bonds1

About 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde

6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde (PubChem CID 84651333) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde
PubChem CID84651333
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESNc1cnc2cc(C=O)nn2c1
InChIInChI=1S/C7H6N4O/c8-5-2-9-7-1-6(4-12)10-11(7)3-5/h1-4H,8H2
InChIKeyVJECOCZYPXVCGC-UHFFFAOYSA-N
XLogP0.12
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde (CID 84651333) is 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde is Nc1cnc2cc(C=O)nn2c1.
What is the InChIKey of 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The InChIKey is VJECOCZYPXVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-5-2-9-7-1-6(4-12)10-11(7)3-5/h1-4H,8H2.
What are the key properties of 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyrazolo[1,5-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 84651333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).