4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C17H18N6O2 — CID 71225378

IUPAC4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCOCC3)c12
InChIInChI=1S/C17H18N6O2/c18-16-15-13(17(24)22-12-3-7-25-8-4-12)9-14(23(15)21-10-20-16)11-1-5-19-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,22,24)(H2,18,20,21)
InChIKeyPRPDTJCUQLMLCF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.28
Rot. Bonds3

About 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225378) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225378
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCOCC3)c12
InChIInChI=1S/C17H18N6O2/c18-16-15-13(17(24)22-12-3-7-25-8-4-12)9-14(23(15)21-10-20-16)11-1-5-19-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,22,24)(H2,18,20,21)
InChIKeyPRPDTJCUQLMLCF-UHFFFAOYSA-N
XLogP1.28
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225378) is 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is Nc1ncnn2c(-c3ccncc3)cc(C(=O)NC3CCOCC3)c12.
What is the InChIKey of 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is PRPDTJCUQLMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c18-16-15-13(17(24)22-12-3-7-25-8-4-12)9-14(23(15)21-10-20-16)11-1-5-19-6-2-11/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,22,24)(H2,18,20,21).
What are the key properties of 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-4-yl)-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).