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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Related Compounds

5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594757
5-[[5-(piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 175303051
5-[[5-[(3,5-dimethylmorpholin-2-yl)methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595045
5-[[6-(3-cyclopentyl-3-hydroxyprop-1-ynyl)-5-[[3-(methylamino)cyclopentyl]amino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164598853
4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 164599336
6-[(5-cyanopyrazin-2-yl)amino]-4-[[4-(dimethylamino)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 164599326
tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 155594867
5-[[6-(1,1-difluoroethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595018
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594586
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613364

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).