5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H22N8 — CID 155511258

IUPAC5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1cc(-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)cn1
InChIInChI=1S/C19H22N8/c1-25-11-13(10-23-25)17-9-15(18-19(20)21-12-24-27(17)18)16-7-8-22-26(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,20,21,24)
InChIKeyKELFDRBKWVQJQL-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.08
Rot. Bonds3

About 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155511258) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155511258
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCn1cc(-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)cn1
InChIInChI=1S/C19H22N8/c1-25-11-13(10-23-25)17-9-15(18-19(20)21-12-24-27(17)18)16-7-8-22-26(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,20,21,24)
InChIKeyKELFDRBKWVQJQL-UHFFFAOYSA-N
XLogP3.08
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155511258) is 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cn1cc(-c2cc(-c3ccnn3C3CCCCC3)c3c(N)ncnn23)cn1.
What is the InChIKey of 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KELFDRBKWVQJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-25-11-13(10-23-25)17-9-15(18-19(20)21-12-24-27(17)18)16-7-8-22-26(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,20,21,24).
What are the key properties of 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylpyrazol-3-yl)-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).