[4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

C16H19F3N6O2 — CID 130363004

IUPAC[4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ncnn2c(N3CCOC(C(=O)N4CCCC4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H19F3N6O2/c17-16(18,19)10-7-12(25-13(10)14(20)21-9-22-25)24-5-6-27-11(8-24)15(26)23-3-1-2-4-23/h7,9,11H,1-6,8H2,(H2,20,21,22)
InChIKeyKPGMFQMFZRRLII-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.16
Rot. Bonds2

About [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 130363004) has the molecular formula C16H19F3N6O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID130363004
Molecular FormulaC16H19F3N6O2
Molecular Weight384.36 g/mol
Exact Mass384.15
IUPAC Name[4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ncnn2c(N3CCOC(C(=O)N4CCCC4)C3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H19F3N6O2/c17-16(18,19)10-7-12(25-13(10)14(20)21-9-22-25)24-5-6-27-11(8-24)15(26)23-3-1-2-4-23/h7,9,11H,1-6,8H2,(H2,20,21,22)
InChIKeyKPGMFQMFZRRLII-UHFFFAOYSA-N
XLogP1.16
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 130363004) is [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is Nc1ncnn2c(N3CCOC(C(=O)N4CCCC4)C3)cc(C(F)(F)F)c12.
What is the InChIKey of [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KPGMFQMFZRRLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O2/c17-16(18,19)10-7-12(25-13(10)14(20)21-9-22-25)24-5-6-27-11(8-24)15(26)23-3-1-2-4-23/h7,9,11H,1-6,8H2,(H2,20,21,22).
What are the key properties of [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 384.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 130363004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).