(2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine

C8H11N5 — CID 157205871

IUPAC(2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine
SMILESCc1nc2c(CN)cnn2nc1C
InChIInChI=1S/C8H11N5/c1-5-6(2)12-13-8(11-5)7(3-9)4-10-13/h4H,3,9H2,1-2H3
InChIKeyYBOYACMUJQLCEI-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.20
Rot. Bonds1

About (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine

(2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine (PubChem CID 157205871) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine
PubChem CID157205871
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name(2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine
SMILESCc1nc2c(CN)cnn2nc1C
InChIInChI=1S/C8H11N5/c1-5-6(2)12-13-8(11-5)7(3-9)4-10-13/h4H,3,9H2,1-2H3
InChIKeyYBOYACMUJQLCEI-UHFFFAOYSA-N
XLogP0.20
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine?
The IUPAC name of (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine (CID 157205871) is (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine.
What is the SMILES notation for (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine?
The canonical SMILES for (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine is Cc1nc2c(CN)cnn2nc1C.
What is the InChIKey of (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine?
The InChIKey is YBOYACMUJQLCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-6(2)12-13-8(11-5)7(3-9)4-10-13/h4H,3,9H2,1-2H3.
What are the key properties of (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine?
(2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpyrazolo[1,5-b][1,2,4]triazin-8-yl)methanamine is sourced from PubChem (CID 157205871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).