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

C16H19N7O — CID 71225514

IUPAC4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
InChIInChI=1S/C16H19N7O/c1-18-5-2-6-20-16(24)12-9-13(11-3-7-19-8-4-11)23-14(12)15(17)21-10-22-23/h3-4,7-10,18H,2,5-6H2,1H3,(H,20,24)(H2,17,21,22)
InChIKeyXOPYMNICVOZWGG-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.71
Rot. Bonds6

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

4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225514) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225514
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12
InChIInChI=1S/C16H19N7O/c1-18-5-2-6-20-16(24)12-9-13(11-3-7-19-8-4-11)23-14(12)15(17)21-10-22-23/h3-4,7-10,18H,2,5-6H2,1H3,(H,20,24)(H2,17,21,22)
InChIKeyXOPYMNICVOZWGG-UHFFFAOYSA-N
XLogP0.71
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-N-[3-(methylamino)propyl]-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-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225514) is 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is CNCCCNC(=O)c1cc(-c2ccncc2)n2ncnc(N)c12.
What is the InChIKey of 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is XOPYMNICVOZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-18-5-2-6-20-16(24)12-9-13(11-3-7-19-8-4-11)23-14(12)15(17)21-10-22-23/h3-4,7-10,18H,2,5-6H2,1H3,(H,20,24)(H2,17,21,22).
What are the key properties of 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methylamino)propyl]-7-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).