4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

C8H11F3N4O — CID 175556723

IUPAC4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC(CN)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4(2-12)14-5-3-13-15-7(16)6(5)8(9,10)11/h3-4H,2,12H2,1H3,(H2,14,15,16)
InChIKeyLPDBGFSDXCRSAV-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.55
Rot. Bonds3

About 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 175556723) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID175556723
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC(CN)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H11F3N4O/c1-4(2-12)14-5-3-13-15-7(16)6(5)8(9,10)11/h3-4H,2,12H2,1H3,(H2,14,15,16)
InChIKeyLPDBGFSDXCRSAV-UHFFFAOYSA-N
XLogP0.55
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 175556723) is 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is CC(CN)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is LPDBGFSDXCRSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4(2-12)14-5-3-13-15-7(16)6(5)8(9,10)11/h3-4H,2,12H2,1H3,(H2,14,15,16).
What are the key properties of 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 236.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 175556723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).