N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H21N9S — CID 89083230

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(c1cscn1)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1
InChIInChI=1S/C19H21N9S/c1-13-10-17(24-23-13)21-18-16-4-3-5-28(16)25-19(22-18)27-8-6-26(7-9-27)14(2)15-11-29-12-20-15/h3-5,10-12H,2,6-9H2,1H3,(H2,21,22,23,24,25)
InChIKeyAMSNWMHZWDWXOC-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.75
Rot. Bonds5

About N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 89083230) has the molecular formula C19H21N9S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID89083230
Molecular FormulaC19H21N9S
Molecular Weight407.51 g/mol
Exact Mass407.16
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=C(c1cscn1)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1
InChIInChI=1S/C19H21N9S/c1-13-10-17(24-23-13)21-18-16-4-3-5-28(16)25-19(22-18)27-8-6-26(7-9-27)14(2)15-11-29-12-20-15/h3-5,10-12H,2,6-9H2,1H3,(H2,21,22,23,24,25)
InChIKeyAMSNWMHZWDWXOC-UHFFFAOYSA-N
XLogP2.75
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-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 N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 89083230) is N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is C=C(c1cscn1)N1CCN(c2nc(Nc3cc(C)[nH]n3)c3cccn3n2)CC1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is AMSNWMHZWDWXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9S/c1-13-10-17(24-23-13)21-18-16-4-3-5-28(16)25-19(22-18)27-8-6-26(7-9-27)14(2)15-11-29-12-20-15/h3-5,10-12H,2,6-9H2,1H3,(H2,21,22,23,24,25).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 407.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[1-(1,3-thiazol-4-yl)ethenyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 89083230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).