5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

C22H25N5O2 — CID 3042386

IUPAC5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(N3CCN(C)CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N5O2/c1-26-12-14-27(15-13-26)22-23-20(16-4-8-18(28-2)9-5-16)21(24-25-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3
InChIKeyNZRDOPRVCQUVOK-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.97
Rot. Bonds5

About 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine

5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (PubChem CID 3042386) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
PubChem CID3042386
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
SMILESCOc1ccc(-c2nnc(N3CCN(C)CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H25N5O2/c1-26-12-14-27(15-13-26)22-23-20(16-4-8-18(28-2)9-5-16)21(24-25-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3
InChIKeyNZRDOPRVCQUVOK-UHFFFAOYSA-N
XLogP2.97
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine (CID 3042386) is 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is COc1ccc(-c2nnc(N3CCN(C)CC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
The InChIKey is NZRDOPRVCQUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-12-14-27(15-13-26)22-23-20(16-4-8-18(28-2)9-5-16)21(24-25-22)17-6-10-19(29-3)11-7-17/h4-11H,12-15H2,1-3H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine?
5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine has a molecular weight of 391.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine is sourced from PubChem (CID 3042386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).