2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide

C19H26N6O2 — CID 26397087

IUPAC2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2cnnc(N3CCN(CC(=O)NC(C)C)CC3)n2)cc1
InChIInChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19-22-17(12-20-23-19)15-4-6-16(27-3)7-5-15/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26)
InChIKeyDTAIPFQBPWUFQW-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.19
Rot. Bonds6

About 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 26397087) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID26397087
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1ccc(-c2cnnc(N3CCN(CC(=O)NC(C)C)CC3)n2)cc1
InChIInChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19-22-17(12-20-23-19)15-4-6-16(27-3)7-5-15/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26)
InChIKeyDTAIPFQBPWUFQW-UHFFFAOYSA-N
XLogP1.19
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

4-[(E)-{2-[5-(4-Methoxyphenyl)-1,2,4-triazin-3-YL]hydrazin-1-ylidene}methyl]phenol
CID 135439774
N-(1-(4-methoxyphenyl)propyl)-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide
CID 117949430
as-Triazine, 3-hydrazino-5-(4-methoxyphenyl)-
CID 3042264
N-[(4-methoxyphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 46742341
2-[3-(4-Methoxyphenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one;hydrochloride
CID 137654374
Acetic acid, 2-(5-(4-methoxyphenyl)-3-as-triazinyl)hydrazide
CID 3053956
1,2,4-Triazine, 5,6-bis(4-methoxyphenyl)-3-(4-methyl-1-piperazinyl)-
CID 3042386
as-Triazine, 3-methoxy-5-(p-methoxyphenyl)-
CID 3053044
1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 54613114
5-(4-Methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 6636212
(1E,2E)-2-methyl-3-phenylacrylaldehyde [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazone
CID 9702984
US10029993, Example 218
CID 136215073

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 26397087) is 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide is COc1ccc(-c2cnnc(N3CCN(CC(=O)NC(C)C)CC3)n2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DTAIPFQBPWUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14(2)21-18(26)13-24-8-10-25(11-9-24)19-22-17(12-20-23-19)15-4-6-16(27-3)7-5-15/h4-7,12,14H,8-11,13H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 370.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 26397087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).