1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine

C12H12N6 — CID 78319159

IUPAC1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine
SMILESCc1nn(C)c2nnc(Nc3ccccc3)nc12
InChIInChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)
InChIKeyLBOQXFNECWMQQE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.81
Rot. Bonds2

About 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine

1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine (PubChem CID 78319159) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine
PubChem CID78319159
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine
SMILESCc1nn(C)c2nnc(Nc3ccccc3)nc12
InChIInChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)
InChIKeyLBOQXFNECWMQQE-UHFFFAOYSA-N
XLogP1.81
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine?
The IUPAC name of 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine (CID 78319159) is 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine?
The canonical SMILES for 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine is Cc1nn(C)c2nnc(Nc3ccccc3)nc12.
What is the InChIKey of 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine?
The InChIKey is LBOQXFNECWMQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16).
What are the key properties of 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine?
1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine has a molecular weight of 240.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-phenylpyrazolo[4,5-e][1,2,4]triazin-5-amine is sourced from PubChem (CID 78319159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).