5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine

C20H29N7O — CID 112945289

IUPAC5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(N2CCN(c3cnnc(NCCN4CCOCC4)n3)CC2)c1
InChIInChI=1S/C20H29N7O/c1-17-3-2-4-18(15-17)26-7-9-27(10-8-26)19-16-22-24-20(23-19)21-5-6-25-11-13-28-14-12-25/h2-4,15-16H,5-14H2,1H3,(H,21,23,24)
InChIKeyJKRBIZPFAGSNGZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.25
Rot. Bonds6

About 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine

5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 112945289) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
PubChem CID112945289
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
SMILESCc1cccc(N2CCN(c3cnnc(NCCN4CCOCC4)n3)CC2)c1
InChIInChI=1S/C20H29N7O/c1-17-3-2-4-18(15-17)26-7-9-27(10-8-26)19-16-22-24-20(23-19)21-5-6-25-11-13-28-14-12-25/h2-4,15-16H,5-14H2,1H3,(H,21,23,24)
InChIKeyJKRBIZPFAGSNGZ-UHFFFAOYSA-N
XLogP1.25
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
1-[4-[3-(2-morpholin-4-ylethylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112945249
N-[(4-methoxyphenyl)methyl]-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112951191
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]-1,2,4-triazin-3-amine
CID 112948395
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945380
5-(2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945318
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945329
5-morpholin-4-yl-N-pentyl-1,2,4-triazin-3-amine
CID 112944097

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine (CID 112945289) is 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine is Cc1cccc(N2CCN(c3cnnc(NCCN4CCOCC4)n3)CC2)c1.
What is the InChIKey of 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is JKRBIZPFAGSNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-17-3-2-4-18(15-17)26-7-9-27(10-8-26)19-16-22-24-20(23-19)21-5-6-25-11-13-28-14-12-25/h2-4,15-16H,5-14H2,1H3,(H,21,23,24).
What are the key properties of 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine?
5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 383.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112945289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).