5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H18N6 — CID 155562231

IUPAC5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2ccc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C15H18N6/c16-15-14-12(7-9-20(14)19-10-17-15)13-6-8-18-21(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17,19)
InChIKeyPZOSGSMLROCJNB-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.68
Rot. Bonds2

About 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155562231) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155562231
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2ccc(-c3ccnn3C3CCCCC3)c12
InChIInChI=1S/C15H18N6/c16-15-14-12(7-9-20(14)19-10-17-15)13-6-8-18-21(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17,19)
InChIKeyPZOSGSMLROCJNB-UHFFFAOYSA-N
XLogP2.68
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155562231) is 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2ccc(-c3ccnn3C3CCCCC3)c12.
What is the InChIKey of 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is PZOSGSMLROCJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-15-14-12(7-9-20(14)19-10-17-15)13-6-8-18-21(13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,16,17,19).
What are the key properties of 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155562231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).