4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C12H10N6O — CID 2818857

IUPAC4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3ccccc3)nn2c1N
InChIInChI=1S/C12H10N6O/c13-11-10(12(14)19)16-15-9-6-8(17-18(9)11)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,19)
InChIKeyVPZFYJBHUQOXSF-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.47
Rot. Bonds2

About 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 2818857) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID2818857
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESNC(=O)c1nnc2cc(-c3ccccc3)nn2c1N
InChIInChI=1S/C12H10N6O/c13-11-10(12(14)19)16-15-9-6-8(17-18(9)11)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,19)
InChIKeyVPZFYJBHUQOXSF-UHFFFAOYSA-N
XLogP0.47
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 2818857) is 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is NC(=O)c1nnc2cc(-c3ccccc3)nn2c1N.
What is the InChIKey of 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is VPZFYJBHUQOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c13-11-10(12(14)19)16-15-9-6-8(17-18(9)11)7-4-2-1-3-5-7/h1-6H,13H2,(H2,14,19).
What are the key properties of 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 2818857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).