N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H9F3N6 — CID 106896541

IUPACN-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3cccnn3)nccn2n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)10-6-9-11(16-4-5-21(9)20-10)17-7-8-2-1-3-18-19-8/h1-6H,7H2,(H,16,17)
InChIKeyKPCQFDCQFXNEBK-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.15
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106896541) has the molecular formula C12H9F3N6 and a molecular weight of 294.24 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106896541
Molecular FormulaC12H9F3N6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC NameN-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3cccnn3)nccn2n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)10-6-9-11(16-4-5-21(9)20-10)17-7-8-2-1-3-18-19-8/h1-6H,7H2,(H,16,17)
InChIKeyKPCQFDCQFXNEBK-UHFFFAOYSA-N
XLogP2.15
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-(pyridazin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106896589
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730825
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730831
N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 166434337
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399
N-[(3-chlorocyclobutyl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734009

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 106896541) is N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NCc3cccnn3)nccn2n1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is KPCQFDCQFXNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6/c13-12(14,15)10-6-9-11(16-4-5-21(9)20-10)17-7-8-2-1-3-18-19-8/h1-6H,7H2,(H,16,17).
What are the key properties of N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 294.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106896541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).