N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H13ClFN5 — CID 69428037

IUPACN-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(Nc2ncnn3cccc23)ccnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C18H13ClFN5/c1-11-15(24-18-16-3-2-8-25(16)23-10-22-18)6-7-21-17(11)13-9-12(19)4-5-14(13)20/h2-10H,1H3,(H,21,22,23,24)
InChIKeyJKZUPFXTTRUAMN-UHFFFAOYSA-N
MW353.79 g/mol
LogP4.64
Rot. Bonds3

About N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 69428037) has the molecular formula C18H13ClFN5 and a molecular weight of 353.79 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID69428037
Molecular FormulaC18H13ClFN5
Molecular Weight353.79 g/mol
Exact Mass353.08
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(Nc2ncnn3cccc23)ccnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C18H13ClFN5/c1-11-15(24-18-16-3-2-8-25(16)23-10-22-18)6-7-21-17(11)13-9-12(19)4-5-14(13)20/h2-10H,1H3,(H,21,22,23,24)
InChIKeyJKZUPFXTTRUAMN-UHFFFAOYSA-N
XLogP4.64
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

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Pyrazolo[1,5-b]pyridazine deriv. 36
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 69428037) is N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(Nc2ncnn3cccc23)ccnc1-c1cc(Cl)ccc1F.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is JKZUPFXTTRUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5/c1-11-15(24-18-16-3-2-8-25(16)23-10-22-18)6-7-21-17(11)13-9-12(19)4-5-14(13)20/h2-10H,1H3,(H,21,22,23,24).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 353.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-3-methyl-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 69428037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).