N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine

C14H17F3N4 — CID 114490536

IUPACN-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CCN(c2ccc(CNC3CC3)nn2)CC1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)10-5-7-21(8-6-10)13-4-3-12(19-20-13)9-18-11-1-2-11/h3-5,11,18H,1-2,6-9H2
InChIKeyCZTXDZDEGOXSNJ-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.43
Rot. Bonds4

About N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 114490536) has the molecular formula C14H17F3N4 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID114490536
Molecular FormulaC14H17F3N4
Molecular Weight298.31 g/mol
Exact Mass298.14
IUPAC NameN-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)C1=CCN(c2ccc(CNC3CC3)nn2)CC1
InChIInChI=1S/C14H17F3N4/c15-14(16,17)10-5-7-21(8-6-10)13-4-3-12(19-20-13)9-18-11-1-2-11/h3-5,11,18H,1-2,6-9H2
InChIKeyCZTXDZDEGOXSNJ-UHFFFAOYSA-N
XLogP2.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 114460782
N-[[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 94391222
N-[[6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 102745891
N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114460779
N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412750
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]ethanamine
CID 114490584
N-[[5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-1-amine
CID 107380965
N-[[6-(4-methoxypyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 114274107
N-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]methyl]cyclopropanamine
CID 62287034
N-[[6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 62888182
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
CID 114490726

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine (CID 114490536) is N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine is FC(F)(F)C1=CCN(c2ccc(CNC3CC3)nn2)CC1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is CZTXDZDEGOXSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4/c15-14(16,17)10-5-7-21(8-6-10)13-4-3-12(19-20-13)9-18-11-1-2-11/h3-5,11,18H,1-2,6-9H2.
What are the key properties of N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 298.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114490536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).