N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine

C18H18FN7 — CID 112957921

IUPACN-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESFc1cccc(Nc2nncc(N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C18H18FN7/c19-14-4-3-5-15(12-14)22-18-23-17(13-21-24-18)26-10-8-25(9-11-26)16-6-1-2-7-20-16/h1-7,12-13H,8-11H2,(H,22,23,24)
InChIKeyRYEVQVZLBGRSDH-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.48
Rot. Bonds4

About N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine

N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112957921) has the molecular formula C18H18FN7 and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112957921
Molecular FormulaC18H18FN7
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC NameN-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESFc1cccc(Nc2nncc(N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C18H18FN7/c19-14-4-3-5-15(12-14)22-18-23-17(13-21-24-18)26-10-8-25(9-11-26)16-6-1-2-7-20-16/h1-7,12-13H,8-11H2,(H,22,23,24)
InChIKeyRYEVQVZLBGRSDH-UHFFFAOYSA-N
XLogP2.48
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958087
methyl 3-[[5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112957918
N-(3-chloro-4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112957900
N-(3-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898966
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluorophenyl)-1,2,4-triazin-3-amine
CID 112958841
5-(4-methylpiperazin-1-yl)-N-phenyl-1,2,4-triazin-3-amine
CID 112945843
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
N-(3,4-dimethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112958078
N-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945868

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112957921) is N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is Fc1cccc(Nc2nncc(N3CCN(c4ccccn4)CC3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is RYEVQVZLBGRSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7/c19-14-4-3-5-15(12-14)22-18-23-17(13-21-24-18)26-10-8-25(9-11-26)16-6-1-2-7-20-16/h1-7,12-13H,8-11H2,(H,22,23,24).
What are the key properties of N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 351.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112957921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).