N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine

C13H19F3N4 — CID 106619125

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)N(CC1CCCN1)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H19F3N4/c1-9(2)20(8-10-4-3-7-17-10)12-6-5-11(18-19-12)13(14,15)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyVUDBNQZNHRFGRK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.46
Rot. Bonds4

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 106619125) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID106619125
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)N(CC1CCCN1)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H19F3N4/c1-9(2)20(8-10-4-3-7-17-10)12-6-5-11(18-19-12)13(14,15)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeyVUDBNQZNHRFGRK-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106618801
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
CID 106641355
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 104973215
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
CID 106619114
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106618416
2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619014
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 106619125) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine is CC(C)N(CC1CCCN1)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is VUDBNQZNHRFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-9(2)20(8-10-4-3-7-17-10)12-6-5-11(18-19-12)13(14,15)16/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 106619125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).