5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine

C22H21N5O — CID 6636212

IUPAC5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-28-19-11-9-17(10-12-19)20-16-24-26-21(25-20)8-5-14-27-15-13-23-22(27)18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3
InChIKeyJDAVMMNVNBTVAU-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.04
Rot. Bonds7

About 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine

5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine (PubChem CID 6636212) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
PubChem CID6636212
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
SMILESCOc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-28-19-11-9-17(10-12-19)20-16-24-26-21(25-20)8-5-14-27-15-13-23-22(27)18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3
InChIKeyJDAVMMNVNBTVAU-UHFFFAOYSA-N
XLogP4.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
The IUPAC name of 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine (CID 6636212) is 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine is COc1ccc(-c2cnnc(CCCn3ccnc3-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
The InChIKey is JDAVMMNVNBTVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-19-11-9-17(10-12-19)20-16-24-26-21(25-20)8-5-14-27-15-13-23-22(27)18-6-3-2-4-7-18/h2-4,6-7,9-13,15-16H,5,8,14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine?
5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine has a molecular weight of 371.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine is sourced from PubChem (CID 6636212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).