5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H29N9O — CID 130362801

IUPAC5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(-c3cnnn3C3CCCCC3)c12
InChIInChI=1S/C26H29N9O/c27-26-25-21(24-15-29-32-34(24)19-4-2-1-3-5-19)13-23(35(25)31-16-28-26)17-6-7-18-14-30-33(22(18)12-17)20-8-10-36-11-9-20/h6-7,12-16,19-20H,1-5,8-11H2,(H2,27,28,31)
InChIKeyYRTNWPMWCFIKAB-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.44
Rot. Bonds4

About 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130362801) has the molecular formula C26H29N9O and a molecular weight of 483.58 g/mol. Its IUPAC name is 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130362801
Molecular FormulaC26H29N9O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(-c3cnnn3C3CCCCC3)c12
InChIInChI=1S/C26H29N9O/c27-26-25-21(24-15-29-32-34(24)19-4-2-1-3-5-19)13-23(35(25)31-16-28-26)17-6-7-18-14-30-33(22(18)12-17)20-8-10-36-11-9-20/h6-7,12-16,19-20H,1-5,8-11H2,(H2,27,28,31)
InChIKeyYRTNWPMWCFIKAB-UHFFFAOYSA-N
XLogP4.44
TPSA113.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130362801) is 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(-c3ccc4cnn(C5CCOCC5)c4c3)cc(-c3cnnn3C3CCCCC3)c12.
What is the InChIKey of 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is YRTNWPMWCFIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O/c27-26-25-21(24-15-29-32-34(24)19-4-2-1-3-5-19)13-23(35(25)31-16-28-26)17-6-7-18-14-30-33(22(18)12-17)20-8-10-36-11-9-20/h6-7,12-16,19-20H,1-5,8-11H2,(H2,27,28,31).
What are the key properties of 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 483.58 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyltriazol-4-yl)-7-[1-(oxan-4-yl)indazol-6-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130362801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).