N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C15H11ClN6S — CID 126499684

IUPACN-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1csc(-c2nc(Nc3ccncc3Cl)c3cccn3n2)n1
InChIInChI=1S/C15H11ClN6S/c1-9-8-23-15(18-9)14-20-13(12-3-2-6-22(12)21-14)19-11-4-5-17-7-10(11)16/h2-8H,1H3,(H,17,19,20,21)
InChIKeyLDSCHZSRQSLWQV-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499684) has the molecular formula C15H11ClN6S and a molecular weight of 342.82 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499684
Molecular FormulaC15H11ClN6S
Molecular Weight342.82 g/mol
Exact Mass342.05
IUPAC NameN-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1csc(-c2nc(Nc3ccncc3Cl)c3cccn3n2)n1
InChIInChI=1S/C15H11ClN6S/c1-9-8-23-15(18-9)14-20-13(12-3-2-6-22(12)21-14)19-11-4-5-17-7-10(11)16/h2-8H,1H3,(H,17,19,20,21)
InChIKeyLDSCHZSRQSLWQV-UHFFFAOYSA-N
XLogP3.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499684) is N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1csc(-c2nc(Nc3ccncc3Cl)c3cccn3n2)n1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is LDSCHZSRQSLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6S/c1-9-8-23-15(18-9)14-20-13(12-3-2-6-22(12)21-14)19-11-4-5-17-7-10(11)16/h2-8H,1H3,(H,17,19,20,21).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 342.82 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).