3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

C11H9N5 — CID 66490701

IUPAC3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2ccccc2)nnc2ccnn12
InChIInChI=1S/C11H9N5/c12-11-10(8-4-2-1-3-5-8)15-14-9-6-7-13-16(9)11/h1-7H,12H2
InChIKeyAEQPKXXQFFCLFO-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.37
Rot. Bonds1

About 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine

3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 66490701) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID66490701
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c(-c2ccccc2)nnc2ccnn12
InChIInChI=1S/C11H9N5/c12-11-10(8-4-2-1-3-5-8)15-14-9-6-7-13-16(9)11/h1-7H,12H2
InChIKeyAEQPKXXQFFCLFO-UHFFFAOYSA-N
XLogP1.37
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-aminopyrazolo[5,1-c][1,2,4]triazine-3-carbohydrazide
CID 606239
3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490709
5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
CID 114003761
3-cyclopentyl-5-phenyltriazol-4-amine
CID 105485947
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
2-methoxy-4-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 134063773
4-naphthalen-2-yl-5-phenylimidazo[1,5-b]pyridazin-7-amine
CID 91670625
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
5,7-dichloro-6-phenylpyrazolo[1,5-a]pyrimidine
CID 59427807
3-methoxy-5-phenylimidazol-4-amine
CID 28901592
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723

Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 66490701) is 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is Nc1c(-c2ccccc2)nnc2ccnn12.
What is the InChIKey of 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is AEQPKXXQFFCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-10(8-4-2-1-3-5-8)15-14-9-6-7-13-16(9)11/h1-7H,12H2.
What are the key properties of 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine has a molecular weight of 211.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 66490701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).