8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C11H8ClFN6 — CID 58328594

IUPAC8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESNc1nnc2c(Nc3ccc(F)cc3Cl)nccn12
InChIInChI=1S/C11H8ClFN6/c12-7-5-6(13)1-2-8(7)16-9-10-17-18-11(14)19(10)4-3-15-9/h1-5H,(H2,14,18)(H,15,16)
InChIKeyHGWPTENFVBERSR-UHFFFAOYSA-N
MW278.68 g/mol
LogP2.24
Rot. Bonds2

About 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 58328594) has the molecular formula C11H8ClFN6 and a molecular weight of 278.68 g/mol. Its IUPAC name is 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID58328594
Molecular FormulaC11H8ClFN6
Molecular Weight278.68 g/mol
Exact Mass278.05
IUPAC Name8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESNc1nnc2c(Nc3ccc(F)cc3Cl)nccn12
InChIInChI=1S/C11H8ClFN6/c12-7-5-6(13)1-2-8(7)16-9-10-17-18-11(14)19(10)4-3-15-9/h1-5H,(H2,14,18)(H,15,16)
InChIKeyHGWPTENFVBERSR-UHFFFAOYSA-N
XLogP2.24
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.68
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260636
3-bromo-N-(2-chloro-4-fluorophenyl)pyridin-2-amine
CID 61373924
3,5-dichloro-6-N-(2-chloro-4-fluorophenyl)pyridine-2,6-diamine
CID 102754342
8-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328692
6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
5-amino-2-(2-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 54860679
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
8-N-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 58328653
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
8-N-(2,4-difluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80760380
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 58328594) is 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is Nc1nnc2c(Nc3ccc(F)cc3Cl)nccn12.
What is the InChIKey of 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is HGWPTENFVBERSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN6/c12-7-5-6(13)1-2-8(7)16-9-10-17-18-11(14)19(10)4-3-15-9/h1-5H,(H2,14,18)(H,15,16).
What are the key properties of 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 278.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 58328594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).