4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide

C18H14ClN5O — CID 118129378

IUPAC4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1cn(-c2ncnn3cccc23)cc1C(N)=O
InChIInChI=1S/C18H14ClN5O/c1-11-4-5-12(19)7-13(11)14-8-23(9-15(14)17(20)25)18-16-3-2-6-24(16)22-10-21-18/h2-10H,1H3,(H2,20,25)
InChIKeyWWJNWSWLCSQEBC-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.25
Rot. Bonds3

About 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide

4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide (PubChem CID 118129378) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide
PubChem CID118129378
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide
SMILESCc1ccc(Cl)cc1-c1cn(-c2ncnn3cccc23)cc1C(N)=O
InChIInChI=1S/C18H14ClN5O/c1-11-4-5-12(19)7-13(11)14-8-23(9-15(14)17(20)25)18-16-3-2-6-24(16)22-10-21-18/h2-10H,1H3,(H2,20,25)
InChIKeyWWJNWSWLCSQEBC-UHFFFAOYSA-N
XLogP3.25
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-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-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide (CID 118129378) is 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide is Cc1ccc(Cl)cc1-c1cn(-c2ncnn3cccc23)cc1C(N)=O.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide?
The InChIKey is WWJNWSWLCSQEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-11-4-5-12(19)7-13(11)14-8-23(9-15(14)17(20)25)18-16-3-2-6-24(16)22-10-21-18/h2-10H,1H3,(H2,20,25).
What are the key properties of 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide?
4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide has a molecular weight of 351.80 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 118129378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).