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

C21H24FN7 — CID 112954567

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
SMILESCN(CCc1ccncc1)c1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H24FN7/c1-27(11-8-17-6-9-23-10-7-17)20-16-24-26-21(25-20)29-14-12-28(13-15-29)19-5-3-2-4-18(19)22/h2-7,9-10,16H,8,11-15H2,1H3
InChIKeyMQWVXLOIHXEUGB-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.41
Rot. Bonds6

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

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine (PubChem CID 112954567) has the molecular formula C21H24FN7 and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
PubChem CID112954567
Molecular FormulaC21H24FN7
Molecular Weight393.47 g/mol
Exact Mass393.21
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine
SMILESCN(CCc1ccncc1)c1cnnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H24FN7/c1-27(11-8-17-6-9-23-10-7-17)20-16-24-26-21(25-20)29-14-12-28(13-15-29)19-5-3-2-4-18(19)22/h2-7,9-10,16H,8,11-15H2,1H3
InChIKeyMQWVXLOIHXEUGB-UHFFFAOYSA-N
XLogP2.41
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dipropyl-1,2,4-triazin-5-amine
CID 112957635
N,N-diethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957626
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112895723
N-benzyl-N-ethyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112951576
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112895579
N-methyl-5-(4-phenylpiperazin-1-yl)-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112954689
N-benzyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890826
N-butyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955533
N-benzyl-N-methyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112949228
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine (CID 112954567) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine is CN(CCc1ccncc1)c1cnnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
The InChIKey is MQWVXLOIHXEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7/c1-27(11-8-17-6-9-23-10-7-17)20-16-24-26-21(25-20)29-14-12-28(13-15-29)19-5-3-2-4-18(19)22/h2-7,9-10,16H,8,11-15H2,1H3.
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine?
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine has a molecular weight of 393.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112954567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).