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

C15H19FN6 — CID 112945960

IUPACN-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(NCc3ccccc3F)n2)CC1
InChIInChI=1S/C15H19FN6/c1-21-6-8-22(9-7-21)15-19-14(11-18-20-15)17-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,19,20)
InChIKeyBHOWMVYAKDVHEE-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.37
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112945960) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112945960
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(NCc3ccccc3F)n2)CC1
InChIInChI=1S/C15H19FN6/c1-21-6-8-22(9-7-21)15-19-14(11-18-20-15)17-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,19,20)
InChIKeyBHOWMVYAKDVHEE-UHFFFAOYSA-N
XLogP1.37
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112949572
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942765
N-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112947559
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948577
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 112950754
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-1,2,4-triazin-5-amine
CID 112940327
4-[5-[(2-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946660
4-[5-[(2-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946667
N-[(2-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112949737
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112947900
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946094
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888098

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112945960) is N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is CN1CCN(c2nncc(NCc3ccccc3F)n2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is BHOWMVYAKDVHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c1-21-6-8-22(9-7-21)15-19-14(11-18-20-15)17-10-12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H,17,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-[(2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 302.36 g/mol, XLogP of 1.37, 4 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-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112945960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).