N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine

C19H20N6 — CID 112955539

IUPACN-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESc1ccc(Nc2cnnc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H20N6/c1-3-7-16(8-4-1)21-18-15-20-23-19(22-18)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22,23)
InChIKeyHFPDYPCXRYAYRX-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.94
Rot. Bonds4

About N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine

N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (PubChem CID 112955539) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
PubChem CID112955539
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
SMILESc1ccc(Nc2cnnc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H20N6/c1-3-7-16(8-4-1)21-18-15-20-23-19(22-18)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22,23)
InChIKeyHFPDYPCXRYAYRX-UHFFFAOYSA-N
XLogP2.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112955680
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547
N-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112961512
4-[5-(4-phenoxyanilino)-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946795
3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112951853
1-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112955716
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)-1,2,4-triazin-5-amine
CID 112955407
4-[5-(4-chloroanilino)-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946753
3-(azepan-1-yl)-N-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 112961392
3-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazin-5-amine
CID 112962724
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 112957549

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine (CID 112955539) is N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is c1ccc(Nc2cnnc(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
The InChIKey is HFPDYPCXRYAYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-3-7-16(8-4-1)21-18-15-20-23-19(22-18)25-13-11-24(12-14-25)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,22,23).
What are the key properties of N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine?
N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine has a molecular weight of 332.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112955539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).