N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine

C20H20F2N6 — CID 112949572

IUPACN-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESFc1ccccc1CNc1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H20F2N6/c21-16-6-2-1-5-15(16)13-23-19-14-24-26-20(25-19)28-11-9-27(10-12-28)18-8-4-3-7-17(18)22/h1-8,14H,9-13H2,(H,23,25,26)
InChIKeyLUGZYWBDMJNPRH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.09
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine

N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112949572) has the molecular formula C20H20F2N6 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112949572
Molecular FormulaC20H20F2N6
Molecular Weight382.42 g/mol
Exact Mass382.17
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESFc1ccccc1CNc1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C20H20F2N6/c21-16-6-2-1-5-15(16)13-23-19-14-24-26-20(25-19)28-11-9-27(10-12-28)18-8-4-3-7-17(18)22/h1-8,14H,9-13H2,(H,23,25,26)
InChIKeyLUGZYWBDMJNPRH-UHFFFAOYSA-N
XLogP3.09
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112945960
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948577
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942765
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957650
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
N,N-diethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957626
4-[5-[(2-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946667
4-[5-[(2-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946660
N-[(2-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112949737

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112949572) is N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is Fc1ccccc1CNc1cnnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is LUGZYWBDMJNPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6/c21-16-6-2-1-5-15(16)13-23-19-14-24-26-20(25-19)28-11-9-27(10-12-28)18-8-4-3-7-17(18)22/h1-8,14H,9-13H2,(H,23,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 382.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112949572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).