5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine

C21H23N5O — CID 45238719

IUPAC5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine
SMILESCOc1cccc(-c2cnnc(N3CCN(C)C(c4ccccc4)C3)n2)c1
InChIInChI=1S/C21H23N5O/c1-25-11-12-26(15-20(25)16-7-4-3-5-8-16)21-23-19(14-22-24-21)17-9-6-10-18(13-17)27-2/h3-10,13-14,20H,11-12,15H2,1-2H3
InChIKeyCFEARMHBDHQKJK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.04
Rot. Bonds4

About 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine

5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 45238719) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine
PubChem CID45238719
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine
SMILESCOc1cccc(-c2cnnc(N3CCN(C)C(c4ccccc4)C3)n2)c1
InChIInChI=1S/C21H23N5O/c1-25-11-12-26(15-20(25)16-7-4-3-5-8-16)21-23-19(14-22-24-21)17-9-6-10-18(13-17)27-2/h3-10,13-14,20H,11-12,15H2,1-2H3
InChIKeyCFEARMHBDHQKJK-UHFFFAOYSA-N
XLogP3.04
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
N-(4-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-6-(4-methyl-3-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 172970891
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
CID 6401202
5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine
CID 45193544
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
1-[4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-yl]pyrrolidin-3-amine;hydrochloride
CID 154913151
(4R)-4-(3-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917106
2-(3-methoxyphenyl)-1,3-dimethylimidazolidine
CID 14361742
4-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
CID 1350768
2-(3-methoxyphenyl)-6-(1-methylpiperidin-3-yl)pyridine
CID 110249259
(4S)-4-(4-bromophenyl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136917109

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine (CID 45238719) is 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine is COc1cccc(-c2cnnc(N3CCN(C)C(c4ccccc4)C3)n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is CFEARMHBDHQKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25-11-12-26(15-20(25)16-7-4-3-5-8-16)21-23-19(14-22-24-21)17-9-6-10-18(13-17)27-2/h3-10,13-14,20H,11-12,15H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine?
5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 361.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 45238719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).