ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine

C17H25F3N6 — CID 153337869

IUPACethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
SMILESCC.CC.FC(F)(F)c1cnnc(Nc2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C13H13F3N6.2C2H6/c14-13(15,16)9-7-11(19-17-8-9)18-10-3-4-12(21-20-10)22-5-1-2-6-22;2*1-2/h3-4,7-8H,1-2,5-6H2,(H,18,19,20);2*1-2H3
InChIKeyQDMDWLWHVUFGKN-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.68
Rot. Bonds3

About ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine

ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine (PubChem CID 153337869) has the molecular formula C17H25F3N6 and a molecular weight of 370.42 g/mol. Its IUPAC name is ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Nameethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
PubChem CID153337869
Molecular FormulaC17H25F3N6
Molecular Weight370.42 g/mol
Exact Mass370.21
IUPAC Nameethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
SMILESCC.CC.FC(F)(F)c1cnnc(Nc2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C13H13F3N6.2C2H6/c14-13(15,16)9-7-11(19-17-8-9)18-10-3-4-12(21-20-10)22-5-1-2-6-22;2*1-2/h3-4,7-8H,1-2,5-6H2,(H,18,19,20);2*1-2H3
InChIKeyQDMDWLWHVUFGKN-UHFFFAOYSA-N
XLogP4.68
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
CID 133059610
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6404338
N-phenyl-6-piperidin-1-ylpyridazin-3-amine
CID 6461022
N-(3-fluorophenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6412527
N-methyl-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717162
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347323
N-(2-hydroxyethyl)-1-[6-[4-(trifluoromethyl)anilino]pyridazin-3-yl]piperidine-4-carboxamide
CID 117090257
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064686
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
6-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pyridazine-3-carbonitrile
CID 163351761

Frequently Asked Questions

What is the IUPAC name of ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The IUPAC name of ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine (CID 153337869) is ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine.
What is the SMILES notation for ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The canonical SMILES for ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine is CC.CC.FC(F)(F)c1cnnc(Nc2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The InChIKey is QDMDWLWHVUFGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6.2C2H6/c14-13(15,16)9-7-11(19-17-8-9)18-10-3-4-12(21-20-10)22-5-1-2-6-22;2*1-2/h3-4,7-8H,1-2,5-6H2,(H,18,19,20);2*1-2H3.
What are the key properties of ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine has a molecular weight of 370.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 153337869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).