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

C20H21FN6 — CID 112947559

IUPACN-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESFc1ccccc1N1CCN(c2nncc(NCc3ccccc3)n2)CC1
InChIInChI=1S/C20H21FN6/c21-17-8-4-5-9-18(17)26-10-12-27(13-11-26)20-24-19(15-23-25-20)22-14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,24,25)
InChIKeyVDBDQWAZFINBOO-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.95
Rot. Bonds5

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

N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112947559) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112947559
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC NameN-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESFc1ccccc1N1CCN(c2nncc(NCc3ccccc3)n2)CC1
InChIInChI=1S/C20H21FN6/c21-17-8-4-5-9-18(17)26-10-12-27(13-11-26)20-24-19(15-23-25-20)22-14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,24,25)
InChIKeyVDBDQWAZFINBOO-UHFFFAOYSA-N
XLogP2.95
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948577
N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112949572
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112945960
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957650
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942765
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
N,N-diethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957626
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
[2-(benzylamino)pyrimidin-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109255410
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112947559) is N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is Fc1ccccc1N1CCN(c2nncc(NCc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is VDBDQWAZFINBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-17-8-4-5-9-18(17)26-10-12-27(13-11-26)20-24-19(15-23-25-20)22-14-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,22,24,25).
What are the key properties of N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 364.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112947559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).