7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine

C19H17N5 — CID 118986602

IUPAC7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine
SMILESCCc1nn2c(-c3ccccc3)c(N)nnc2c1-c1ccccc1
InChIInChI=1S/C19H17N5/c1-2-15-16(13-9-5-3-6-10-13)19-22-21-18(20)17(24(19)23-15)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3
InChIKeyJSUDRZKLSAHIBY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.60
Rot. Bonds3

About 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine

7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine (PubChem CID 118986602) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine.

Molecular Properties

Compound Name7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine
PubChem CID118986602
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine
SMILESCCc1nn2c(-c3ccccc3)c(N)nnc2c1-c1ccccc1
InChIInChI=1S/C19H17N5/c1-2-15-16(13-9-5-3-6-10-13)19-22-21-18(20)17(24(19)23-15)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3
InChIKeyJSUDRZKLSAHIBY-UHFFFAOYSA-N
XLogP3.60
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine?
The IUPAC name of 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine (CID 118986602) is 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine.
What is the SMILES notation for 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine?
The canonical SMILES for 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine is CCc1nn2c(-c3ccccc3)c(N)nnc2c1-c1ccccc1.
What is the InChIKey of 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine?
The InChIKey is JSUDRZKLSAHIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-15-16(13-9-5-3-6-10-13)19-22-21-18(20)17(24(19)23-15)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3.
What are the key properties of 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine?
7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine has a molecular weight of 315.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4,8-diphenylpyrazolo[5,1-c][1,2,4]triazin-3-amine is sourced from PubChem (CID 118986602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).