4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C16H19N7O — CID 71225122

IUPAC4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
InChIInChI=1S/C16H19N7O/c1-22(8-2-5-17)16(24)12-9-13(11-3-6-19-7-4-11)23-14(12)15(18)20-10-21-23/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H2,18,20,21)
InChIKeyIUAJWZLQZWRKHY-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.79
Rot. Bonds5

About 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225122) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225122
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
InChIInChI=1S/C16H19N7O/c1-22(8-2-5-17)16(24)12-9-13(11-3-6-19-7-4-11)23-14(12)15(18)20-10-21-23/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H2,18,20,21)
InChIKeyIUAJWZLQZWRKHY-UHFFFAOYSA-N
XLogP0.79
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide 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 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225122) is 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is CN(CCCN)C(=O)c1cc(-c2ccncc2)n2ncnc(N)c12.
What is the InChIKey of 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is IUAJWZLQZWRKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-22(8-2-5-17)16(24)12-9-13(11-3-6-19-7-4-11)23-14(12)15(18)20-10-21-23/h3-4,6-7,9-10H,2,5,8,17H2,1H3,(H2,18,20,21).
What are the key properties of 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-aminopropyl)-N-methyl-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).