5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C15H15F3N8 — CID 164598960

IUPAC5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC3CCC(N)C3)c(C(F)(F)F)nn2)cn1
InChIInChI=1S/C15H15F3N8/c16-15(17,18)14-11(23-9-2-1-8(20)3-9)4-12(25-26-14)24-13-7-21-10(5-19)6-22-13/h4,6-9H,1-3,20H2,(H2,22,23,24,25)
InChIKeyWGBAQTWLMLKPFV-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.19
Rot. Bonds4

About 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 164598960) has the molecular formula C15H15F3N8 and a molecular weight of 364.34 g/mol. Its IUPAC name is 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID164598960
Molecular FormulaC15H15F3N8
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Name5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NC3CCC(N)C3)c(C(F)(F)F)nn2)cn1
InChIInChI=1S/C15H15F3N8/c16-15(17,18)14-11(23-9-2-1-8(20)3-9)4-12(25-26-14)24-13-7-21-10(5-19)6-22-13/h4,6-9H,1-3,20H2,(H2,22,23,24,25)
InChIKeyWGBAQTWLMLKPFV-UHFFFAOYSA-N
XLogP2.19
TPSA125.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 164598960) is 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NC3CCC(N)C3)c(C(F)(F)F)nn2)cn1.
What is the InChIKey of 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is WGBAQTWLMLKPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8/c16-15(17,18)14-11(23-9-2-1-8(20)3-9)4-12(25-26-14)24-13-7-21-10(5-19)6-22-13/h4,6-9H,1-3,20H2,(H2,22,23,24,25).
What are the key properties of 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 364.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164598960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).