5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

C15H18N8O — CID 122184945

IUPAC5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESNCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C15H18N8O/c16-7-11-1-2-12-14(22-3-5-24-6-4-22)20-13(21-23(11)12)10-8-18-15(17)19-9-10/h1-2,8-9H,3-7,16H2,(H2,17,18,19)
InChIKeyZUFLWCIDKIFEFC-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.06
Rot. Bonds3

About 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine

5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (PubChem CID 122184945) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
PubChem CID122184945
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
SMILESNCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12
InChIInChI=1S/C15H18N8O/c16-7-11-1-2-12-14(22-3-5-24-6-4-22)20-13(21-23(11)12)10-8-18-15(17)19-9-10/h1-2,8-9H,3-7,16H2,(H2,17,18,19)
InChIKeyZUFLWCIDKIFEFC-UHFFFAOYSA-N
XLogP0.06
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine (CID 122184945) is 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is NCc1ccc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nn12.
What is the InChIKey of 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
The InChIKey is ZUFLWCIDKIFEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c16-7-11-1-2-12-14(22-3-5-24-6-4-22)20-13(21-23(11)12)10-8-18-15(17)19-9-10/h1-2,8-9H,3-7,16H2,(H2,17,18,19).
What are the key properties of 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine?
5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine has a molecular weight of 326.36 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(aminomethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 122184945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).