5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H16N6 — CID 58529351

IUPAC5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2ccc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12
InChIInChI=1S/C20H16N6/c21-20-19-17(8-9-26(19)23-13-22-20)15-6-7-16-12-25(24-18(16)10-15)11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H2,21,22,23)
InChIKeyLOXXXYUTKPESBS-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.38
Rot. Bonds3

About 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58529351) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58529351
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2ccc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12
InChIInChI=1S/C20H16N6/c21-20-19-17(8-9-26(19)23-13-22-20)15-6-7-16-12-25(24-18(16)10-15)11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H2,21,22,23)
InChIKeyLOXXXYUTKPESBS-UHFFFAOYSA-N
XLogP3.38
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-benzylindazol-6-yl)-7-(1-cyclopropylpiperidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529518
5-(2-benzylindazol-6-yl)-7-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529336
2-[3-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]propyl-methylamino]ethanol
CID 58529721
N-[[4-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methyl]formamide
CID 89307905
[[3-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methylamino]-methylsulfanium
CID 143458870
5-(2-benzylindazol-6-yl)-7-[3-(2-cyclohexylethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529855
5-(2-benzylindazol-6-yl)-7-[4-(4,4-difluoropiperidin-1-yl)butyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529397
4-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-3-methylcyclohexa-1,5-dien-1-ol
CID 143458877
5-(2-benzylindazol-6-yl)-7-[3-[(cyclopentylamino)methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 71134393
5-(2-benzylindazol-6-yl)-7-[4-[ethyl(pyridin-4-ylmethyl)amino]butyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529446
3-[4-amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carbonyl]pyrrolidine-1-sulfonic acid
CID 123874144
5-(2-benzylindazol-6-yl)-7-[4-(2-piperidin-1-ylethylamino)butyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58529608

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58529351) is 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2ccc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12.
What is the InChIKey of 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LOXXXYUTKPESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c21-20-19-17(8-9-26(19)23-13-22-20)15-6-7-16-12-25(24-18(16)10-15)11-14-4-2-1-3-5-14/h1-10,12-13H,11H2,(H2,21,22,23).
What are the key properties of 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 340.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58529351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).