N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine

C15H16ClF3N6 — CID 112946107

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C15H16ClF3N6/c1-24-4-6-25(7-5-24)14-22-13(9-20-23-14)21-10-2-3-12(16)11(8-10)15(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,21,22,23)
InChIKeyRWHVMXWPISBBBN-UHFFFAOYSA-N
MW372.78 g/mol
LogP3.04
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112946107) has the molecular formula C15H16ClF3N6 and a molecular weight of 372.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112946107
Molecular FormulaC15H16ClF3N6
Molecular Weight372.78 g/mol
Exact Mass372.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESCN1CCN(c2nncc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C15H16ClF3N6/c1-24-4-6-25(7-5-24)14-22-13(9-20-23-14)21-10-2-3-12(16)11(8-10)15(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,21,22,23)
InChIKeyRWHVMXWPISBBBN-UHFFFAOYSA-N
XLogP3.04
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946460
3-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-5-amine
CID 112946039
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913929
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253974
N-(5-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946051
3-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 112946426
5-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948179
methyl 4-chloro-3-[[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-yl]amino]benzoate
CID 112946081
[2-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253801
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298469
3-(azepan-1-yl)-N-(3,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112961460

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112946107) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is CN1CCN(c2nncc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is RWHVMXWPISBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N6/c1-24-4-6-25(7-5-24)14-22-13(9-20-23-14)21-10-2-3-12(16)11(8-10)15(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,21,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 372.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112946107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).