N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

C20H24F3N5 — CID 133422697

IUPACN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)18-7-8-19(26-25-18)24-13-15-3-5-17(6-4-15)28-11-9-27(10-12-28)14-16-1-2-16/h3-8,16H,1-2,9-14H2,(H,24,26)
InChIKeyDONZMVABPZINRO-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.64
Rot. Bonds6

About N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133422697) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133422697
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC NameN-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)18-7-8-19(26-25-18)24-13-15-3-5-17(6-4-15)28-11-9-27(10-12-28)14-16-1-2-16/h3-8,16H,1-2,9-14H2,(H,24,26)
InChIKeyDONZMVABPZINRO-UHFFFAOYSA-N
XLogP3.64
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133422697) is N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1.
What is the InChIKey of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is DONZMVABPZINRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5/c21-20(22,23)18-7-8-19(26-25-18)24-13-15-3-5-17(6-4-15)28-11-9-27(10-12-28)14-16-1-2-16/h3-8,16H,1-2,9-14H2,(H,24,26).
What are the key properties of N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 391.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133422697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).