[3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone

C18H21N7O — CID 86766700

IUPAC[3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone
SMILESNCC1CCCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1
InChIInChI=1S/C18H21N7O/c19-9-12-2-1-7-24(10-12)18(26)14-8-15(13-3-5-21-6-4-13)25-16(14)17(20)22-11-23-25/h3-6,8,11-12H,1-2,7,9-10,19H2,(H2,20,22,23)
InChIKeyYEOAHYSTIQPWNG-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.18
Rot. Bonds3

About [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone

[3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone (PubChem CID 86766700) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone
PubChem CID86766700
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone
SMILESNCC1CCCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1
InChIInChI=1S/C18H21N7O/c19-9-12-2-1-7-24(10-12)18(26)14-8-15(13-3-5-21-6-4-13)25-16(14)17(20)22-11-23-25/h3-6,8,11-12H,1-2,7,9-10,19H2,(H2,20,22,23)
InChIKeyYEOAHYSTIQPWNG-UHFFFAOYSA-N
XLogP1.18
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone 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 [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone (CID 86766700) is [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone is NCC1CCCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone?
The InChIKey is YEOAHYSTIQPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c19-9-12-2-1-7-24(10-12)18(26)14-8-15(13-3-5-21-6-4-13)25-16(14)17(20)22-11-23-25/h3-6,8,11-12H,1-2,7,9-10,19H2,(H2,20,22,23).
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(4-amino-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methanone is sourced from PubChem (CID 86766700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).