N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H17F3N6 — CID 47983075

IUPACN-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(C2(CNc3ccc4nnnn4n3)CCCC2)c1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)13-5-3-4-12(10-13)16(8-1-2-9-16)11-21-14-6-7-15-22-24-25-26(15)23-14/h3-7,10H,1-2,8-9,11H2,(H,21,23)
InChIKeyGQXNSJNBCFKSIB-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.46
Rot. Bonds4

About N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47983075) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47983075
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC NameN-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESFC(F)(F)c1cccc(C2(CNc3ccc4nnnn4n3)CCCC2)c1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)13-5-3-4-12(10-13)16(8-1-2-9-16)11-21-14-6-7-15-22-24-25-26(15)23-14/h3-7,10H,1-2,8-9,11H2,(H,21,23)
InChIKeyGQXNSJNBCFKSIB-UHFFFAOYSA-N
XLogP3.46
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 47983075) is N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is FC(F)(F)c1cccc(C2(CNc3ccc4nnnn4n3)CCCC2)c1.
What is the InChIKey of N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GQXNSJNBCFKSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)13-5-3-4-12(10-13)16(8-1-2-9-16)11-21-14-6-7-15-22-24-25-26(15)23-14/h3-7,10H,1-2,8-9,11H2,(H,21,23).
What are the key properties of N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 362.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47983075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).